Michael James Steuart Dewar. 24 September 1918-11 October 1997 Author(s): John. N. Murrell Source: Biographical Memoirs of Fellows of the Royal Society, Vol. 44 (Nov., 1998), pp. 128- 140 Published by: Royal Society Stable URL: http://www.jstor.org/stable/770235 Accessed: 12-10-2016 12:23 UTC

REFERENCES Linked references are available on JSTOR for this article: http://www.jstor.org/stable/770235?seq=1&cid=pdf-reference#references_tab_contents You may need to log in to JSTOR to access the linked references.

JSTOR is a not-for-profit service that helps scholars, researchers, and students discover, use, and build upon a wide range of content in a trusted digital archive. We use information technology and tools to increase productivity and facilitate new forms of scholarship. For more information about JSTOR, please contact [email protected].

Your use of the JSTOR archive indicates your acceptance of the Terms & Conditions of Use, available at http://about.jstor.org/terms

Royal Society is collaborating with JSTOR to digitize, preserve and extend access to Biographical Memoirs of Fellows of the Royal Society

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms MICHAEL JAMES STEUART DEWAR

24 September 1918-11 October 1997

Elected F.R.S. 1960

BY JOHN MURRELL, F.R.S.

School of Chemistry, Physics and Environmental Science, University of Sussex, Brighton BN1 9QJ, UK

Michael Dewar was one of the most colourful characters of modem chemistry, possessing an immediately recognizable profile. He was not outstanding in chemical synthesis, his first love; he admitted to lacking expertise in quantum theory; some have even said his mechanistic proposals were not always sound; but on one thing there is total agreement, he was an outstanding man of ideas.

EARLY YEARS

Michael was born in India of Scottish parents, his father being in the Indian Civil Service as District Commissioner of a remote area with few other Europeans. As was normal at that time, Michael was sent to an English boarding school-Copthome-at the age of eight. He made no holiday trips back to India and did not see his father again before he died two years later, at which time his mother returned to England. The next few years were financially difficult for his mother but, with the support of his grandparents, he was able to continue at Copthorne, and at 13 he came top of the scholarship examination for Winchester, one of the leading English public (private) schools. In his autobiography, A semiempirical life (28)*, he attributed his success not so much to his knowledge of Latin and Greek, but to the essay he wrote on the topic 'What do you think will be the most exciting new invention in the next hundred years?'. He had a passion for science fiction. Was he reading H.G. Wells and Jules Verne or had he discovered the new cult Pulp Science Fiction magazines? Michael also claimed to have been influenced by Mee s children s encyclopedia, marvellously readable volumes even today.

*Numbers in this form refer to the bibliography at the end of the text.

129 ? 1998 The Royal Society

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms 130 Biographical Memoirs

His early years in India, and later at Copthore and Winchester, made him an avid absorber of knowledge, mainly by reading. This very wide-ranging and critical curiosity never left him. 'Self-taught' would be an exaggeration but somewhere near the mark. Winchester is a school that, more than most, leaves its mark on the intellect and probably most of all on its brightest pupils. In the 1930s it was dormitory life with prefect discipline- how tough would depend on their personalities. Michael seems to have been lucky at least in having prefects with a gramophone and a taste for classical music. Would it today just be pop? This early exposure to the classical repertoire did not lead to any instrumental talent but Michael was a keen choral singer throughout his Oxford years. Michael's first year at Winchester was spent mainly studying the classics, which he hated but acknowledged to have merit in training the intellect. He then switched to science and became inspired by chemistry. His learning was mainly from books but he was greatly influenced by his chemistry teacher, Eric James, who later went on to head Manchester Grammar School and became the first Vice Chancellor of the University of York. H.C. (Christopher) Longuet-Higgins writes: 'When I got to Winchester, Michael was in his fourth year and nicknamed The Ploff (sic). He was said to have already memorized Karrer's Organic chemistry and Sidgwick's Electronic theory of valency. As a Junior, I was given the task of polishing his OTC uniform. He failed to get us to march in step'.

OXFORD

In 1936, Michael went up to Balliol College, Oxford, winning both an Open Scholarship and a Winchester-linked scholarship. In his second year he won the Gibbs Prize for Chemistry, the first time this had been won by a second-year student. Oxford was then, and still is, different from other British universities in providing a great deal of teaching through college tutorials. Balliol students were particularly lucky in having the guidance of R.P. (Ronnie) Bell, who had very wide expertise across the whole field of physical chemistry. But Michael was not converted; he never wavered in his love of organic chemistry, which he had picked up at Winchester. He admitted to attending only two undergraduate lecture courses, one by Robert Robinson and the other by Nevil Sidgwick. Other distinguished chemists of that generation have made the same claim and perhaps if you are brilliant, creative and inquisitive, it is an adequate strategy, but it may leave gaps in your knowledge unfilled because you never know they are there. He found the lack of formal mathematical instruction in the chemistry degree at that time 'strange and deplorable'. Balliol has the reputation of being a political hothouse and Michael had as contemporaries Ted Heath and Denis Healey. But he had no interest in politics. His 'entertainments' were bridge and chess, in both of which he was very talented. Sir John (Kappa) Cornforth with whom he played chess-himself a top-class amateur-says that Michael was an excellent strategist though a poor tactician, and he was immensely proud of a contribution he made to the theory of a chess opening. Throughout his life Michael appears to have been motivated in all his many and diverse interests by the ambition to make a recognized contribution to the subject. Michael was also a hi-fi enthusiast; a self-taught expert in both theory and construction. In his fourth (project) year as an undergraduate at Oxford, Michael did research in natural product chemistry under the direction of F.E. (Freddie) King. He investigated the structure of

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms Michael James Steuart Dewar 131 an alkaloid yohimbine, supposedly the active ingredient of a West African plant with, it was claimed, aphrodisiac powers. His personal physiological experiments proved negative for this property, but he made progress on the chemical front and a paper subsequently appeared in Nature (1) describing a mild method of decarboxylating yohimbic acid which was later recognized to be an important development for the later full elucidation of the yohimbine structure by others. Michael continued at Oxford as a DPhil student with King as his supervisor; interestingly not with Robinson, then the leading organic chemist in the country. Although Michael believed that Robinson was annoyed by his choice of supervisor, he clearly did not harbour a grudge because they remained good (chess-playing) friends and Robinson strongly supported him for his later postdoctoral appointment in Oxford, and for his subsequent chair in London. University chemical research in the 1940s was geared to the war effort and Michael worked first on explosives (his compounds were never tested) and then on sulfa drugs (his compounds were too insoluble to be tested). He then did postdoctoral work with Robinson on antimalarials (his compounds showed no activity) and on penicillin (which at that time was incorrectly thought to be an oxazalone). Up to this point one would not have predicted a great chemical career. But I.H.M. (Helen) Muir writes:

Michael Dewar was one of the senior research workers in the Dyson Perrins laboratory who helped many struggling D.Phil. students, whether or not they were his responsibility, and thus saved their careers from disaster. His generosity of mind and wide knowledge coupled with enormous enthusiasm meant that he was the mentor of most research students in the laboratory.

Michael's first important contribution to chemistry in his postdoctoral years was to propose a seven-membered ring structure for stipitatic acid and to coin the name tropolone for the parent structure in figure 1 (2). Stipitatic acid is a mould metabolite which had been extensively studied by H. Raistrick, but he had been unable to come up with a reasonable structure. All the experimental evidence was in the literature, but Michael was the one to see that its easy conversion by alkali to (II) implied that the precursor of II was an ao-diketone and in its enolized form would be III. The big step was to recognize the possibility of a facile conversion from a seven- to a six-membered ring and to argue that the seven-membered ring would have aromatic character, consistent with its stability against bromine addition.

OH 0 COOH OH 0

HO COOH HO COOH I II III tropolone hydroxyisophthalic acid stipitatic acid

Figure 1. The structure of stipitatic acid.

Michael went on to provide additional experimental evidence that an important alkaloid, colchicine, could also be considered as a tropolone derivative (3). Although others had suggested that colchicine possessed a seven-membered ring, its structure had defied the best efforts of some top class groups.

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms 132 Biographical Memoirs

Tropolone was the first seven-membered ring compound to be recognized as aromatic and satisfying Hiickel's 4n + 2 rule for the parent hydrocarbon cation, now known as the tropylium cation. It was an outstanding achievement for someone so early in their career, and also a key step in Michael's chemical development; in the paper he makes no mention of molecular orbital (MO) theory, but it is clear from his later writings that he quickly realized that this could be useful for organic chemists. Michael's next important paper was on the mechanism of the benzidine rearrangement (4), a long-standing puzzle of how hydrazobenzene (IV) undergoes an intramolecular rearrangement in acid solution to give benzidine (V) and diphenyline (VI) in the ratio 7.5:1 (figure 2). How could the ring carbon atoms come together before the N-N bond was broken?

fVNNHNHI_;~ _?(~ IV

H2N /- NH2

NH2

NH2

Figure 2. The mechanism of the benzidine rearrangement.

His proposed mechanism was for the two benzene rings to come face to face, the structure being stabilized by overlap of their n-orbitals. This was proposed for the mono-protonated species, although it was later found to occur through diprotonated intermediates. It was a good, well-argued case, although much later shown not to be in accord with all the experimental evidence, or the best calculations. The most important point of the paper was in the last sentence which was 'similar ic-complex intermediates can be written for other analogous rearrangements'. At Oxford in 1942, Michael met his future wife, Mary Williamson, who had just graduated with a first class honours degree in history, and they married in 1944. It was a very close and successful marriage, ending only with Mary's death in 1994. Michael wrote (28): 'I was lucky enough to meet someone who was more than my equal'. Although Mary's professional career was understandably held back by being wife and mother, she later acquired a doctorate, became well recognized in her specialist field of Tudor history, and published several books. People remember Michael as very sociable and very kind to friends and colleagues, but also very argumentative, often to the point of rudeness-not someone who might be expected to be easy to live with. Perhaps Mary was a unique person to forge this marriage and provide 50 years of loving companionship; certainly Michael was shattered by her death, a few years before his own.

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms Michael James Steuart Dewar 133

COURTAULDS

From 1945 to 1951, Michael worked in the research laboratories of Courtaulds, which were under the direction of C.H. (Bam) Bamford. The general field of physical chemistry of polymers was far away from his Dyson Perrins activities, but he and Bam made very important advances. They were the first to measure accurate individual rate constants in vinyl polymerization (7) and for reactions underlying the photochemical oxidation of fabrics (8). They were the first to establish that photoexcited dye molecules extracted hydrogen atoms from polymers, leading to their subsequent breakdown by reaction with oxygen or hydroxide ions. A.D. Jenkins writes as follows:

I had the room next to Michael at Courtaulds and his consuming interest at that time was his rather exotic car, a Jowett Javelin, in which he claimed to be able to drive from Maidenhead to Manchester in an unbelievably short time. He loved to clean the spark plugs, a process made difficult by the necessity of jacking up and removing one of the front wheels. He would come roaring into the lab. arms covered in grease and demand a bucket of benzene in which he proceeded to wash.

Michael's later, well-known brushes with the US traffic police are entirely consistent with this early behaviour. In 1947, Michael followed up his interest in rt-complexes by presenting a paper at a Faraday Discussion in which he applied Hiickel theory to a large number of complexes (5). The assumptions underlying the calculations would not now be accepted, and some of these deficiencies were acknowledged in a following paper by Dewar & Coulson (6). But what is quite amazing in the present computer age is that the calculations could be done at all. There is a very small and uninformative section in the paper on the computational procedure, and today's reader would guess that he must have used some Dewar tricks, unrevealed, perhaps the use of perturbation MO theory (PMO) which he later popularized. Michael's role in extending it-complex ideas to organometallic structures probably stems from his early thoughts on the solubility of AgCIO4 in benzene. He suggested, in a communication arising from (5), that this could be due to a It-complex. The more important problem at that time was the structure of Zeise's salt, a complex of platinum and ethene, a system for which Joseph Chatt was providing valuable spectroscopic evidence. Michael's proposal, first mooted at a conference, was that the filled d-orbitals of the metal acted as donor to the empty Ti-orbital of the ethene as acceptor; the term 'back-coordination' was used. The it-bonding model for ethene-transition metal complexes is commonly referred to as the Dewar-Chatt-Duncanson model. The theory was first published by Dewar in 1951 (10), and Chatt and Duncanson provided experimental evidence which they later agreed was in accord with Dewar's structure and not, as they earlier thought, to be interpreted as a o-bonded carbene. The it-bonded complex theory developed by Dewar was one of his greatest achievements and was crucial in his early and rapid rise in the chemical world. Outside his Courtaulds work, Michael was completing his first book, entitled The electronic theory of organic chemistry (9). This was heavily influenced by Robinson's mechanistic ideas but these were written within a framework of quantum mechanics. It was a very influential book for theoretical organic chemistry, and a contrast in style to C.K. Ingold's book Structure and mechanism in organic chemistry (Cornell University, 1953) which appeared a few years later. However, Michael's later claim that his book was the first general account

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms 134 Biographical Memoirs of organic chemistry in terms of MO theory can only partially be accepted. He states unambiguously in the introduction that he believes MO theory is a better basis for organic chemistry than the then more popular valence bond theory, but the book only gives qualitative arguments to support this. The basic mathematics of Hiickel's work, for example, appears only through a reference, and the book does not even describe Michael's already published calculations on n-bonded complexes. The truth is probably that by the time Michael came to the end of the book he had appreciated even more the opportunities opened up by MO theory and all his later theoretical work was much more quantitative.

QUEEN MARY COLLEGE

In 1951, at the age of 33, Michael was appointed to the Chair in Chemistry at Queen Mary College (QMC). This was an important step for him and for British chemistry, and a surprising appointment for someone so young without previous experience of holding an academic post. As the only professor in the department he had ultimate responsibility for the curriculum, for research, and for the budget. In research terms the department was moribund. R.F. (Bob) Hudson, a colleague at that time, writes: 'The only apparatus I had was a newly painted retort stand'. Michael claimed to the end that he was hopeless at administration, but in his eight years at QMC he raised the research profile of chemistry from a low point to being in the forefront of British chemistry. His secret, so he wrote, was to overspend by 100% for each of the first five years he was there, multiplying his budget in the process by a factor of 32. Michael made two important moves in theoretical organic chemistry while at QMC. The first was to give further weight to the successes of MO theory by some collaborative work with his close friend Christopher Longuet-Higgins. The second was to have a very public row with the doyen of organic mechanisms, Sir Christopher Ingold-a row that could be said to continue long after Ingold's death. One must start by stating that Michael was influenced by a long-standing conflict between Ingold and Robinson, but Michael's special dislike of Ingold and his work was started by a critical referee's report on a paper submitted to the Chemical Society, not by Michael, but by one of his younger colleagues; Michael thought he had been unfairly treated by 'an Ingold referee'. An interesting point this; Michael could be extremely and outspokenly critical of other people's research, but he was protective, perhaps to a fault, of the research of his younger colleagues. I understand that the paper eventually appeared, and the author was not as unhappy as Michael himself, but the antagonism to Ingold continued right through to some very harsh words written in 1997 (29). Michael's arrival at QMC coincided with his important development of PMO theory, published as six papers in the Journal of the American Chemical Society, under the controversial title 'A molecular orbital theory of organic chemistry' (11). These are among his best work and are a splendid mixture of mathematical rigour, chemical knowledge and insight. He showed that 'back of the envelope' calculations based on non-bonding molecular orbitals could give quantitative results that were in excellent agreement with the heats of reaction and activation energies of many organic reactions. The work developed earlier results of Coulson and Longuet-Higgins, but Dewar's new approach was a major advance for aromatic reactions, not least for its conceptual insight and its clear advance over resonance theory.

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms Michael James Steuart Dewar 135

Collaboration with Longuet-Higgins produced two further important pieces of work. The first (12) was to show that resonance theory and PMO theory gave the same outcome when applied to aromatic systems with six-membered rings, but gave different outcomes for systems with four-membered rings, and for these the PMO result agreed with experiment. The second paper (13) was on the electronic spectra of aromatic hydrocarbons, it was the first of Michael's papers which went beyond Hiickel theory and can be said to pave the way for his later semi-empirical MO models. His experimental work at QMC covered several projects. Measurement of the positions and rates of electrophilic substitution in polycyclic hydrocarbons had the objective of confirming his theoretical predictions (14-16). Another was the synthesis of borazaromatic hydrocarbons (17), a project which continued in several aspects over many years. Some of the first compounds containing a boron and a nitrogen atom in a six-membered ring were the 10,9- borazarophenanthrenes prepared by condensing 2-aminobiphenyl with boron trichloride and heating the adduct with aluminium trichloride (figure 3).

Cli H NH2 B-N+

AIC13 + BC13 .

Figure 3. Synthesis of borazaromatic molecules.

Michael showed that the molecules had physical and some chemical properties very close to those of the isoelectronic hydrocarbon-borazaronaphthalene even smells like naphthalene. He wrote (28): 'The most interesting thing about borazaromatics is that they are in no way remarkable', and was a bit disappointed in this. P.M. (Peter) Maitlis collaborated on this work and writes: 'The lab at QMC deserves a whole book to itself. Safety was not a prime consideration. Fortunately Mile End Hospital was just round the comer; members of our lab were always in its out-patients department. Michael could not offer the latest in gadgetry to attract co-workers, and yet students and collaborators flocked to him and were completely mesmerized by him'. Michael left QMC in 1959 to take a chair at the University of Chicago, a move stimulated by the offer of better funding, particularly for equipment, but also by a weariness with the task of managing his department. The bureaucracy of London University was clearly a heavy burden and he was also being led into national activities, such as his election as Honorary Secretary of the Chemical Society. He wrote (28): 'Most of my life was being spent in London traffic jams trying to get from one meeting to another'. The structure and atmosphere of universities in the US were very different at that time from those in Britain; much less formal and a full professor was not necessarily running the department. The move to the US was very appealing; his election to the Royal Society in 1960 emphasized the loss to British science. He was one of a few key people who brought the 'brain drain' of the 1960s to the public eye.

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms 136 Biographical Memoirs

LIFE IN THE USA

The four years Michael spent in Chicago saw the continuation of several themes started at QMC, borazaromatics and n complexes in particular, and some spectroscopic studies of charge transfer complexes (18). R.S. (Robert) Mulliken, the expert in this field, was working in the Physics Department at that time, but Michael cast doubt on whether charge transfer was a significant contribution to the stability of these complexes. Michael's principal move was to a greater emphasis on theory. He wrote in 1992 (28): 'I changed overnight from being convinced that theoretical calculations could never serve any real purpose in chemistry to being equally convinced that all the problems of chemistry could be solved by a semi- empirical approach in which all the valence electrons are included'. Now, even in 1963, I would have expected 99% of chemists to have taken a position between these two extreme positions so it is not surprising that to adopt either extreme view would meet with strong opposition. Michael's time in Chicago coincided with the increasing availability of computers for non- computer specialists and he was helped by spending some time at the Bell Telephone Laboratories where computer access was easy, and free, and where there were theoretical chemists well versed in computation. Michael rapidly became a well-known figure in the American academic scene. E.H. (Edgar) Heilbronner, a close friend writes:

I flew into New York, and when my conversational taxi driver asked me what I was doing, I said I was an organic chemist on my way to Chicago. Oh, he said, you must know Michael Dewar.

Michael's main developments in semi-empirical theory were made after his move to a Robert A. Welch-endowed chair at Austin, Texas, in 1963. There is a story attached to the move. Michael was called in by the Chicago President and asked 'Why would you go from a first rate university to a second rate one for just more money?', to which he replied, 'President, I have done it once before'. Looking back at theoretical chemistry in the 1960s and 1970s one would say that for molecular structure calculations, the computational route had in the main been established by the early pioneers, and also by the work of Boys in the 1950s, but the computational resources were woefully inadequate. Most workers therefore took the line that approximations, models and empirical parameters were used largely to overcome computing limitations. Michael never took that line, or at least his view was that his semi-empirical models would always do better than purely ab initio calculations until the computational provision was way beyond anything that could then be comprehended. His view was that his models could give chemical insight much more readily than hard number-crunching ab initio calculations, and in this he had the evidence of all the important ideas that had come out of model calculations in the 1930s and 1940s. The most disappointing aspect of Michael's approach was that to achieve his aim of 'chemical accuracy' it was found necessary to complicate the models to such an extent that a successful parameterization required a lengthy trial-and-error approach which, in the end, left some doubt about the uniqueness of the solution. He wrote, for example, about MINDO/3, that two postdoctoral colleagues took two years and tried 500 combinations of parameters before settling on the best set (28). But the proof of the pudding is in the eating; the best of these models were extremely successful for a wide range of molecules (not just organic molecules),

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms Michael James Steuart Dewar 137 and molecular properties: structure; energy; electron density; various types of spectroscopy; and, perhaps most important for the experimentalist, giving evidence for the mechanisms of reactions and the nature of transition states. His claim that the models do not just reproduce the properties on which they have been parameterized is accepted. Michael's sequence of programs, PNDDO, MINDO/1, MINDO/2, MINDO/3, MNDO and AM1, which were developed during his 27 years at Austin, have been extensively used by others, particularly the last three. In 1997, there were still about 150 publications with one of these programs specified in its title-perhaps multiply that number by ten to find some use of the programs referred to in the text. Michael was generous in making his programs freely available to both academic and commercial communities. Whether these programs, or their close derivatives, will have a long shelf life has yet to be seen. Perhaps the puzzle for most theoretical chemists is why Michael did not get bored with the work. The probable answer is that he was totally convinced that everyone else was barking up the wrong (ab initio) tree; he had a missionary's zeal to carry on the work. Michael's research group published a huge number of papers using his semi-empirical programs. There is no book on the subject by his own hand, but he reviewed the early work (23, 24), and in his autobiography (28) mentions many of the applications which he considered most important. He returned quite often to some of his earliest interests, n- complexes and rearrangements, for example. His work on pericyclic reactions is particularly noteworthy, not only for its advances (20-22), but also for the conflict it raised with the Woodward-Hoffmann school, on whether these reactions should be classified as symmetry- allowed or symmetry-forbidden or, in Michael's view, as aromatic or antiaromatic. He claimed that the essential ideas could be found in a 1939 publication of M.G. Evans, but that is not wholly supported because there is no concept of antiaromaticity in this early paper. Michael would not accept that the Woodward-Hoffmann symmetry approach was a pedagogic breakthrough for most organic chemists. Another of his conflicts with established theory, also of Nobel Prize standing, was on the topic of Frontier Orbital Theory. The principle behind this is that only the character of the highest occupied and lowest vacant MOs need be considered for interpreting much of organic reactivity. Michael would have none of it; all the MOs have to be considered. He gave sufficient examples to make a strong case (27), but his work has not had such a strong influence as to remove the attractions of Frontier Orbital Theory as a simple model. It is quite clear that Michael revelled in controversy; there is almost a feeling in his writing that if it is not controversial it is not worth saying. An illustration of this is contained in some generalizations on enzyme reactions (25, 26). In his view they were more analogous to gas phase reactions than to solution reactions. He wrote (28):

... because it is difficult to see any flaw in our arguments enzyme chemists will presumably have to accept them in the end. It will be interesting to see how this capitulation takes place.

Today most enzyme chemists would probably not disagree with his generalization; but nor would many have disagreed in 1985 when the proposal was first made. Was the proposal so very controversial? Michael carried on an experimental programme at Austin until 1986 but one feels that his heart was not in it. He continued spectroscopic work on charge transfer complexes, continuing his controversy with Mulliken (19), and for several years he attempted to build a sensitive photoelectron spectrometer, but there was little outcome. He continued to produce new and

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms 138 Biographical Memoirs elegant syntheses for borazaromatics, and to measure the rates of substitution reactions to tie in with his theoretical predictions. But his Austin research was dominated by his theoretical work, and it is for this that he will be remembered. Michael was a brilliant lecturer but loved to see his audience 'fuming'. During his Texas years he was much in demand as a conference speaker. J.D. (Jack) Dunitz recalled a memorable incident at the 1973 Burgenstock conference when Michael was chosen to give the 'joke lecture'. Michael strode to the podium following a planted question to give a brilliant account of his latest work on fluctuating chirality; he even guyed his own mannerisms, like wiping his chalky fingers on his jacket. Many in the audience were furiously copying down his results up to the third blackboard of bogus equations. In 1979, the University of Texas established an Institute of Theoretical Chemistry for Michael at Austin, and he finally got a dedicated (VAX) computer for his research. Both he and his wife became US citizens in 1980. The Royal Society awarded him the Davy Medal in 1982, and in 1983 he was elected a member of the National Academy of Sciences. In 1988, there was a meeting at Austin to celebrate Michael's 70th birthday (see poem) and in the same year Michael had a typically stormy row with the President of the University, which culminated in his resignation/retirement and a move to Gainsville where he was appointed as a research professor at the University of Florida, and remained until his death. His last years were greatly saddened by Mary's death, but he was supported by both the social and chemical contacts with his academic friends. He had a close family-two sons, both of whom started their education in the physical sciences but ended up in computers. Mary and Michael kept in touch with friends and scientific colleagues over 25 years through Christmas letters, which usually had as a first sentence 'Sorry this is late again'. In one of the last he wrote 'Thanks to my son Steuart, I am also now learning for the first time how to use a computer'.

ACKNOWLEDGEMENT

The frontispiece photograph, taken in later years, was kindly supplied by Michael Dewar's family.

REFERENCES TO OTHER AUTHORS

Evans, M.G. 1939 Activation energies of reactions involving conjugated species Trans. Faraday Soc. 35, 824.

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms Michael James Steuart Dewar 139

As Ronald Reagan's second term declines, Our Michael enters on his eighth decade The fading actor read his exit lines And sinks unmoured from shadiness to shade, But the old chemist, full of beans and bile, Steps out with controversial intent To seek, in his inimitable style, New concepts, new mistakes, new argument. Truly each day they do refresh their youth Who daily face the challenge of the truth.

Those Oxford days seem distant beyond measure: The Dyson Perrins with its shading limes The banks of Dames' Delight or Parsons' Pleasure Where, once, we shared the crosswords from the Times... Perchance the urge, and then the expertise, For reading riddles by those waters placid Led Michael to attempt the mysteries Of colchicine and stipitatic acid And, where great Windaus gave up hope, alone To guess, and prove, and christen tropolone.

So he was launched. To know before the act, To calculate the truth and then to show it, To substitute the theory for the fact And find new fact before by fact we know it: Was not this vision worth a great man's work? Yes, but the way would lead, by paths contrary, Through thickets where sharp controversies lurk And fallacies entangle the unwary, While through the deepening mist perversely clear, The elusive light still shines-and still seems near.

May it come nearer yet! And those he taught, Not they alone who gave him their reliance, But those who fought him, learning while they fought, Now see the light he cast on all our science Not as the twilight of departing days But as the promise of a bright new morning. Then join me, gentle hearers, in his praise, And take from me a friendly word of warning: Don't start an argument with Michael Dewar, He's better as a polemist than you are.

Written, and delivered by Sir John Corforth, for Michael's 70th birthday celebrations at the University of Texas, Austin, 1988.

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms 140 Biographical Memoirs

BIBLIOGRAPHY

The publications listed here are those referred to directly in the text. A full bibliography appears on the accompanying microfiche. A photocopy is available from the Royal Society Library at cost.

(1) 1941 (With F.E. King) Constitution of yohimbine. Nature 148, 25. (2) 1945 Structure of stipitatic acid. Nature 155, 50. (3) Structure of colchicine. Nature 155, 141. (4) Mechanism of the benzidine and related rearrangements. Nature 156, 784. (5) 1947 Calculated heats of formation of some pi-complexes. Disc. Faraday Soc. 2, 50. (6) (With C.A. Coulson) Difficulties in the application of the MO theory to mesomeric ions. Disc. Faraday Soc. 2, 54. (7) 1948 (With C.H. Bamford) Studies in polymerization. I. A method for determining the velocity constants in polymerization reactions and its application to styrene. Proc. R. Soc. Lond. A 192, 309. (8) 1949 (With C.H. Bamford) Photosensitization and tendering by vat dyes. J. Soc. Dyers Colour. 65, 674. (9) 1949 The electronic theory of organic chemistry. Oxford University Press. (10) 1951 A review of pi-complex theory. Bull. Soc. Chim. Fr. 18, 79. (11) 1952 A molecular orbital theory of organic chemistry. Parts I-VI. J. Am. Chem. Soc. 74, 3341, 3345, 3350, 3353, 3355, 3357. (12) (With H.C. Longuet-Higgins) The correspondence between the resonance and molecular orbital theories. Proc. R. Soc. Lond. A214, 482. (13) 1954 (With H.C. Longuet-Higgins) The electronic spectra of aromatic molecules. I. Benzenoid hydrocarbons. Proc. Phys. Soc. A67, 795. (14) 1956 (With T. Mole & E.W.T. Warford) Electrophilic substitution. Part VI. The nitration of aromatic hydrocarbons; partial rate factors and their interpretation. J. Chem. Soc. 3581. (15) 1957 (With T. Mole) Electrophilic substitution. Part VII. Rates of chlorination of aromatic molecules. J. Chem. Soc. 342. (16) (With P.M. Maitlis) Electrophilic substitution. Parts X and XI. J. Chem. Soc. 2518, 2521. (17) 1958 (With V.P. Kubba & R. Pettit) New heteroaromatic compounds. I. J. Chem. Soc. 3073. (18) 1961 (With A.R.J. Lepley) Pi complexes. I. Charge transfer spectra of pi-complexes formed by trinitrobenzene with polycyclic aromatic compounds. J. Am. Chem. Soc. 83, 4560. (19) 1966 (With C.C. Thompson Jr) Pi-molecular complexes. III. A critique of charge transfer and stability constants for some TCNE-hydrocarbon complexes. Tetrahedron Lett. 7, 97. (Suppl.) (20) 1974 (With S. Kirschner & H.W. Kollmar) Orbital isomerisms as a controlling factor in chemical reactivity. J. Am. Chem. Soc. 96, 5242. (21) (With S. Kirschner, H.W. Kollmar & L.E. Wade). Orbital isomerism in biradical processes J. Am. Chem. Soc. 96, 5240. (22) (With S. Kirschner) Nature of the transition states in 'forbidden' electrocyclic reactions. J. Am. Chem. Soc. 96, 5244. (23) 1975 Computing calculated reactions. Chem. Br. 11, 97. (24) 1978 Further perspectives in organic chemistry. Ciba Foundation Symposium 53, 107. (25) 1985 (With D.M. Storch) Alternative view of enzyme reactions. Proc. Natn. Acad. Sci. USA 82, 2225. (26) 1986 New ideas about enzyme reactions. Enzyme 36, 8. (27) 1989 A critique of frontier orbital theory. Theochem 59, 301. (28) 1992 A semiempirical life. American Chemical Society. (29) 1997 Some comments on A semiempirical life. The Chemical Intelligencer 3, 34.

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms H

- em

Biographical Memoirs of Fellows of the Royal Society

Please Note: The following pages for this article were scanned from microfiche. Although the original microfiche images were not of highest quality, JSTOR has made a best effort to present the material in legible condition. Please contact [email protected] if you have any questions.

Please click on "Next Page" (at the top of the screen) to begin viewing this article.

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms Michael James Steuart Dewar

Bibliography Volume 44 (1998)

Dewar I

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms Michael James Steuart Dewar-Bibliography (I) Dewar, M.J.S. & King, F.E. 1941 Constitution of Yohimbine. Natre 148,25. (2) Dewar, M.J.S. 1944 Attempts to find new Antimalarials XXI. J. Chm. Soc., 615. (3) Dewar, M.J.S. 1944 Attempts to find new Antimalarials XXII. J. Chem, Soc., 619. (4) Dewar, M.J.S. 1944 Some Derivatives of Diphenylguanidine. J. Chem. Sc,, 534. (5) Cornforth, J.S., Cornforth, R.H. & Dewar, M.J.S. 1944 Reported Asymmetric Synthesis of Santonin. Nature 153, 317. (6) Dewar, M.J.S. 1945 Structure of Stiptatic Acid. Nature 155, 50. (7) Dewar, M.J.S. 1945 Structure of Colchicine. Nature 155, 141. (8) Dewar, M.J.S. 1945 Mechanism of the Beckmann Rearrangements. Nature 156, 688. (9) Dewar, M.J.S. 1945 Mechanism of the Benzidine and Related Rearrangements. Nature 156,784. (10) Dewar, M.J.S. & King, F.E. 1945 Sulphanilimides of Some Aminopyrazoles, and a Note on the Application of p-Phthalidimidobenzenesulphonyl Chloride to the Synthesis of Sulphanilimides. J. Chem. Soc.,, 114. (I1) Dewar, M J.S. 1946 Mechanism of Benzidine-type Rearrangements, and the Role of Pi-Electrons in Organic Chemistry. J, Chem SC., 406. (12) Dewar, M.J.S. 1946 The Kinetics of Some Benzidine Rearrangements, and a Note on the Mechanism of Aromatic Substitution. J. Chem, Soc., 777. (13) Bamford, C.H. & Dewar. M.J.S. 1946 Determination of the Velocity Constants in the Polymerization of Vinyl Compounds. Nature 157, 845. (14) Dewar, M.J.S. 1946 A Semi-Empirical Method for Calculating the Resonance Energies of some Nitrogen Compounds. Trans. Faraday Soc. 42, 764. (15) Dewar, M.J.S. 1946 The Determination of Resonance Energies from Thermal Data. Trans. Faradav Soc. 42, 767. (16) Bamford, C.H. & Dewar, M.J.S. 1946 Polymerization of Methacrylate. Nature 158, 380. (17) Dewar, M.J.S. 1947 Calculated Heats of Formation of some pi-Complexes. Disc Faraday Soc, 2,50. (18) Coulson, C.A. & Dewar, M.J.S. 1947 Difficulties in the Application of the MO Theory to Mesomeric Ions. Disc. Faraday Soc. 2,54. (19) Bamford, C.H. & Dewar M.J.S. 1947 Fates of Radical Reactions in the Liquid Phase I. Absolute Velocity Constants in Vinyl Polymerizations. Disc. Faraday Soc. 2, 310. (20) Dewar, M.J.S. 1947 An Interpretation of Light and its Bearing on Cosmology. Phil. Mag. 38, 488. (21) Dewar, M.J.S. 1948 The Structure of Ozone. J. Chem. Soc., 1299. (22) Bamford, C.H. & Dewar, M.J.S. 1948 Studies in Polymerization I. A Method for Determining the Velocity Constants in Polymerization Reactions and its Application to Styrene. Proc. Roy. Soc. A192, 309. (23) Bamford, C.H. & Dewar, M.J.S. 1948 Studies in Polymerization II. A Method for Investigating the Relation Between the Molecular Weights and Intrinsic Viscosities of Polymers, and its Application to Polystyrene. Proc. Roy. Soc. A192, 329. (24) Bamford, C.H. & Dewar, M.J.S. 1949 Photosensitization by Vat Dyes. Nature 163, 214. (25) Dewar, M.J.S. 1949 A Theoretical Discussion of o:p Ratios and Orientation in Benzene Substitution. J. Chem. Soc.. 463. (26) Dewar, M.J.S. 1949 A Modification of the Molecular Orbital Method: The LCMO Method. Proc. Camb. Phil. Soc. 45, 639. (27) Bamford, C.H. & Dewar, M.J.S. 1949 Studies in Polymerization III. The Polymerization of Methyl Methacrylate. Proc. Roy. Soc. A197, 356. (28) Bamford, C.H. & Dewar, M.J.S. 1949 The Autoxidation of Tetralin. Proc. Roy. Soc. A198, 252. (29) Bamford, C.H. & Dewar, M.J.S. 1949 Photosensitization and Tendering by Vat Dyes. J, Soc. Dyers and Colourists 65, 674. (30) Bamford, C.H. & Dewar, M.J.S. 1949 The General Kinetics of Co-Polymerization and an Extension of the Viscosity Method to Determine Velocity Constants. J. Chem. Phys, 17, 1188. (31) Bamford, C.H. & Dewar, M.J.S. 1949 The Thermal Decomposition of Acetic Acid. J. Chem. Soc., 2877. (32) Bamford, C.H. & Dewar, M.J.S. 1949 Absolute Velocity Constants in the Autoxidation of Tetralin. Nature 163,215. (33) 1949 The Electronic Theory of Organic Chemistry. Oxford University Press. (34) Bamford, C.H. & Dewar, M.J.S. 1949 Frequency Factors in Radical Reactions. Nature 163, 256. (35) Dewar, M.J.S. 1950 Tropolone. Nature 166, 790. (36) Dcwar, M.J.S. 1950 Applications of the Electronic Theory of Organic Reactions. Research 3, 154. (37) Dewar, M.J.S. 1950 Colour and Constitution. I. Basic Dyes. J. Chem. Soc., 2329. (38) Dewar, M.J.S. 1950 Addition Reactions. Induqtria Chim. Belie 15, 181. (39) Dewar, MJ.S. 1951 A Review of the pi-Complex Theory. Bull. Soc. Chim. 18, C71. (40) Dcwar. M.J.S. 1951 Acid-Catalyzed Reactions of Hydrocarbons. Bull, Soc. Chim. 18, C86. (41) Dewar, M.J.S. 1951 Theoretical Organic Chemistry. Ant. Rep. Chem. $oc. 48, 112.

Dewar 2

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (42) Dewar, M.J.S. 1952 A Molecular Orbital Theory of Organic Chemistry I. General Principles. .A.C,?, 74, 3341. (43) Dewar, M.J.S. 1952 A Molecular Orbital Theory of Organic Chemistry II. The Structure of Mesomeric Systems. J,A.C,S. 74, 3345. (44) Dewar, M.J.S. 1952 A Molecular Orbital Theory of Organic Chemistry III. Charge Displacements and Electromeric Substituents. J.A.4,$, 74, 3350. (45) Dewar, M.J.S. 1952 A Molecular Orbital Theory of Organic Chemistry IV. Free Radicals. J.,C.S. 74, 3353. (46) Dewar, M.J.S. 1952 A Molecular Orbital Theory of Organic Chemistry V. Theories of Reactivity and the Relationship between Them. J.A.C.S. 74, 3355. (47) Dewar, M.J.S. 1952 A Molecular Orbital Theory of Organic Chemistry VI. Aromatic Substitution and Addition. J.A,C,S, 74, 3357. (48) Dewar, M.J.S. 1952 Colour and Constitution II. Aromatic Hydrocarbons. J. Cher, Soc. 3532. (49) Dewar, M.J.S. 1952 Colour and Constitution III. Polyphenyls, Polyenes, and Phenylpolyenes; and the Significance of Cross-Conjugation. J. Chem, Soc., 3544. (50) Dewar, M.J.S. & Longuet-Higgins, H.C. 1952 The Correspondence Between the Resonance and Molecular Orbital Theories. Proc. Roy. Soc. A214, 482. (51 ) Dewar. M.J.S. 1952 The Molecular Orbital Theory of Organic Chemistry. Science Progress 40, 604. (52) Brown, D.A. & Dewar. M.J.S. 1953 Meta-Interactions and Inductive Effects in Heterocyclic Systems. J. Chem. Soc., 2406, 2151 (1954). (53) Dewar, M.J.S. 1953 Role of 3d-Electrons in Valency States of First-Row Elements. J, Chem. Soc,, 2885. (54) Bavin, P.M.G. & Dewar, M.J.S. 1953 Nitration of Phenanthrene. Chem. and Ind,, 543. (55) Dewar, M.J.S. 1953 Some Recent Developments in Theoretical Chemistry. Prog. i%.Org. Chem. 2, 1. (56) Dewar, M. J S. & Longuet-Higgins, H.C. 1954 The Electronic Spectra of Aromatic Molecules I. Benzenoid Hydrocarbons. Proc. Phys. Soc. A67, 795. (57) Burr, J.G. & Dewar, M.J.S. 1954 The Mechanism of the Favorski Reaction J. Chem, Soc., 1201. (58) Dewar, M.J.S. & Pettit, R. 1954 The Calculation of Bond Orders, Resonance Energies, and Orbital Energies by a Simple Perturbation Method. J. Chem. Soc., 1617. (59) Dewar, M.J.S. & Pettit, R. 1954 A Molecular Orbital Theory of Organic Chemistry. Part VII. The Additivity of Bond Energies in Unconjugated Systems. J. Chem. Soc., 1625. (60) Brown, D.A. & Dewar, M.J.S. 1954 Fluorene Analogues of Triphenylmethan Dyes; Calculation of Their Light Absorption by the Molecular-Orbital Method. J. Chem. Soc., 2134. (61) Dave, J.S. & Dewar, M.J.S. 1954 Mixed Liquid Crystals. J. Chem. Soc., 4616. (62) Ourrisson, P. & Ourrisson, G.(in a paper by) 1954 Note on the Reactions of Longifolene. Bull. Soc. Chem., 1415. (63) Ansell, M.F. & Dewar, M.J.S. 1954 Molecular Rearrangements in Organic Chemistry. Nature 173, 898. (64) Dewar, M.J.S. & Scott, J.M.W. 1955 The Orton Rearrangement. Part I. Preparation and Properties of N- Bromo and N-Chloro-2:6-Dimethylacetanilide. J. Chem. Soc., 1845. (65) Dave, J.S. & Dewar, M.J.S. 1955 Mixed Liquid Crystals. Part II. The Effect of Structure on the Transition Temperatures of Mixed Liquid Crystals. J. Chem. Soc., 4305. (66) Bavin, P.M.G. & Dewar, M.J.S. 1955 Synthesis of the Mononitrophenanthrenes. J. Chem. Soc., 4477. (67) Bavin, P.M.G. & Dewar, M.J.S. 1955 Absorption Spectra of Nitro and Fluoro Derivatives of Phenanthrene, Triphenylene and Fluorene. J. Chem. Soc., 4486. (68) Bavin, P.M.G. & Dewar, M.J.S. 1955 The Rapson Triphcnylene Synthesis and its Application to 1:2-3:4- Dibenzophenanthrene. J. Chem. Soc.. 4479. (69) Dewar, M.J.S. & Pettit, R. 1955 A New Synthesis of Tropylium Salts. Chem. and Ind,, 199. (70) Dewar, M.J.S. & Maitlis, P.M. 1955 The Nitration of Quinoline. Chem. and Ind., 685. (71) Ansell, M.F. & Dewar, M.J.S. 1955 Aromatic Substitution. Nature 175,982. (72) Dewar, M.J.S. 1956 Quantum Organic Chemistry. Ann. Rep. Chem. Soc. 53, 126. (73) Dewar, M.J.S. & Warford, E.W.T. 1956 Nitration of Phenanthrene. Chem. and Ind., 98. (74) Bavin, P.M.G. & Dewar, M.J.S. 1956 Electrophilic Substitution. Part I. Preliminary Investigations. J. Chem. Soc., 164. (75) Dewar, M.J.S. & Mole, T. 1956 Electrophilic Substitution. Part I. The Nitration of Naphthalene and Perylene. J. Chem. Soc,, 1441. (76) Dewar, M.J.S. & Warfoid, E.W.T. 1956 Electrophilic Substitution. Part III. The Nitration of Phenanthrene. J. (:hcm. Soc., 3570. (77) Dewar, M.J.S., Mole, T., Urch, D.S. & Warford, E.W.T. 1956 Electrophilic Substitution. Part IV. The Nitration of Diphenyl, Chrysene, Benzo[a]Pyrene, and Anthanthrene. J. Chem. Soc., 3572. (78) Dewar, M.J.S. & Warford, E.W.T. 1956 Electrophilic Substitution. Part V. Competitive Nitrations. J. Chem. Soc, 3576. (79) Dewar, M.J.S. & Pettit, R. 1956 The Tropylium Ion. Part I. Synthesis of Tropylium and Methyltropylium Salts. J. Chem. Soc., 2021.

Dewar 3

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (80) Dewar, M.J.S. & Pettit, R. 1956 The Tropylium Ion. Part II. A Further Synthesis and Some Reactions of Tropylium Salts. J. Chem, Soc., 2026. (81) Dewar, M.J.S. & Sampson, R.J. 1956 The Rates of Solvolysis of Certain Arylmethyl Chlorides, and a Simple Molecular-Orbital Treatment of This and Similar Reactions. J, Chem. Soc., 2789. (82) Dewar, M.J.S. & Mole, T. 1956 Palladised Charcoal as a Catalyst for the Reduction of Aromatic Nitro- Compounds by Hydrazine Hydrate. J. Chem. Soc., 2556. (83) Dewar, M.J.S., Mole, T. & Warford, E.W.T. 1956 Electrophilic Substitution. Part VI. The Nitration of Aromatic Hydrocarbons; Partial Rate Factors and Their Interpretation. J. Chem. Soc., 3581. (84) Dewar, M.J.S. & Mole, T. 1957 Electrophilic Substitution. Part VII. Rates of Chlorination of Aromatic Hydrocarbons. J. Chem. Soc., 342. (85) Dewar, M.J.S. & Urch, D.S. 1957 Electrophilic Substitution. Part VIII. The Nitration of Dibenzofuran and a New Method of Ultraviolet Spectrophotometric Analysis of Mixtures. J. Chem. Soc., 345. (86) Dewar, M.J.S. & Maitlis, P.M. 1957 Electrophilic Substitution. Part IX. The Anomalous Nitrations of Quinoline. J. Chem. Soc., 944. (87) Dewar, M.J.S. & Maitlis, P.M. 1957 Electrophilic Substitution. Part X. Nitration of Quinoxaline. J. Chem. Soc., 2518. (88) Dewar, M.J.S. & Maitlis, P.M. 1957 Electrophilic Substitution. Part XI. Nitration of Some Six-Membered Nitrogen-Heterocyclic Compounds in Sulphuric Acid. J. Chem. Soc., 2521. (89) Dewar, M.J.S. & Sampson, R.J. 1957 The Solvolysis of Arylmethyl Chlorides. Part II. A Molecular Orbital Treatment and Further Experimental Evidence of the Transition from the Limiting to the Fully Nucleophil- Assisted Mechanism. J. Chem. Soc., 2946. (90) Dewar, M.J.S. & Sampson, R.J. 1957 The Solvolysis of Arylmethyl Chlorides. Part III. Further Demonstration of Retardation of Solvolysis Rates of Peri-Compounds. J. Chem. Soc., 2952. (91) Blackman, L.C.F. & Dewar, M.J.S. 1957 Promoters for the Dropwise Condensation of Steam. Part I. Preparation of Compounds Containing Monofunctional Sulphur Groups. J. Chem. Soc., 162. (92) Blackman, L.C.F. & Dewar, M.J.S. 1957 Promoters for the Dropwise Condensation of Steam. Part II. Preparations of Compounds Containing Polyfunctional Sulphur Groups. J. Chem. Soc., 165. (93) Biackman, L.C.F. & Dewar, M.J.S. 1957 Promoters for the Dropwise Condensation of Steam. Part III. Preparation of Silicon and Phosphorus Compounds. J. Chem. Soc., 171. (94) Blackman, L.C.F. & Dewar, M.J.S. 1957 Promoters for the Dropwise Condensation of Steam. Part IV. Discussion of Dropwise Condensation and Testing of Compounds. J. Chem. Soc., 171. (95) Dewar, M.J.S. & Scott, J.M.W. 1957 The Orton Rearrangement. Part II. The Reactions of Several Substituted N-Bromoacylanilides in Various Media Causing Rearrangement. J. Chem. Soc., 1445. (96) Dewar, M.J.S. & Scott, J.M.W. 1957 The Orton Rearrangement. Part III. Evidence for the Mechanism Derived from Kinetic Studies of O-Substituted N-Bromo-Acetanilides. J. Chem. Soc., 2676. (97) Blackman, L.C.F., Dewar, M.J.S. & Hampson, H. 1957 An Investigation of Compounds Promoting the Dropwise Condensation of Steam. J. Applied Chem. 7, 160. (98) Dewar, M.J.S. & Paoloni, L. 1957 The Electronic Structure Of Malamine. Trans. Faraday Soc. 53, 261. (99) Anet, F.A.O., Bavin, P.M.G. & Dewar, M.J.S. 1957 The Reaction of Nitromethane with Fluorenone and Benzophenone in Polyphosphoric Acid. Canad. J. Chem. 35, 180. (100) Dewar, M.J.S. 1958 Aromatic Substitution. Record Chem. Progress 19, 1. (101) Dewar, M.J.S. & James, A.N. 1958 Thermal Decomposition of 3:5-Dibromobenzene- 1:4-Diazooxide. J. Chem. Soc., 917. (102) Dewar, M.J.S., Ganneline, C.R. & Pettit, R. 1958 The Tropylium Ion. III. Oxidation of Cyclohepta-2:4:6- Triene-Carboxylic Acid. J. Chem. Soc., 55. (103) Dewar, M.J.S. & Lucken E.A.C. 1958 Chemical Applications of Nuclear Quadrupole Resonance Spectroscopy. J. Chem. Soc., 2653. (104) Dewar, M.J.S., Kubba, Ved & Pettit, R. 1958 New Heteroaromatic Compounds. I. J. Chetn. Soc., 3073. (105) Dewar, M.J.S., Kubba, Ved & Pettit, R. 1958 New Hetereoaromatic Compounds. II. J. Chem. Soc., 3076. (106) Dewar, M.J.S. & Urch, D.S. 1958 Electrophilic Substitution. Part XII. J. Chem. Soc., 3079. (107) Dewar, M.J.S. & James, A.N. 1958 A Further Study of the Thermal Decomposition of 3:5-Dibromobenzene 1:4-Diazo-Oxide. J. Chem Soc., 4265. (108) Dewar, M.J.S. & Lucken, E.A.C. 1958 Chemical Applications of Nuclear Quadrupole Resonance. Chem. Soc. Special Pub. No.12, 223. (109) Dewar, M.J.S. & Wulfman, C.E. 1958 Pi-Electron Correlation in the Polyenes. J. Chem. Phys. 29, 158. (110) Dewar, M.J.S. 1958 Effect of Non-Coplanarity on the Absorption of Cyanin Dyes. Chem. Soc. Symp. Hull. Butterworths 46. (111) Dewar, M.J.S. 1958 Aromatic Rearrangement. Kekule Sym. Butterworths 179.

(112) 1958 Compression de la Liaison Sigma et Correlation Electronique dans les Systemes Conjuges. C.N.R.S. Colloquium. r aris.

Dewar 4

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (113) Dewar, M.J.S. & Dietz, R. 1959 New Heteroaromatic Compounds. Part m. 2,1-Borazaronaphthalene(1,2- Dihydro-l-Aza-2-Boranaphthalene). J. Chem. Soc., 2728. (114) Dewar, M.J.S. & Kubba, Ved 1959 New Heteroaromatic Compounds. Part IV. Tetrahedron 7, 213. (115) Dewar, M.J.S. & Ganellin, C.R. 1959 Rearrangements of Norcaradiene Derivatives. Chem. and Ind., 458. (116) Dewar, M.J.S. & Schmeising, H.N. 1959 A Re-Evaluation af Conjugation and Hyperconjugation. the Effects of Changes in Hybridisation of Carbon Bonds. Tetrahedror. 5 166. (117) Dewar, M.J.S. & Puttnam, N.A. 1959 Action of Aluminnium Bro,mide on Phenyl S-Butyl Ether. Proc. Chem. Soc., 58. (118) Dewar, M.J.S. 1959 Mechanism of the Diels-Alder Reaction. Tetrahedron Letters 4, 16. (119) Dewar, M.J.S. & Lucken, E.A.C. 1959 Chemical Applications of Nuclear Quadrupole Resonance Spectroscopy. Part II. Chloro-Derivatives of Maleic Anhydrides, Thiophen, and Anilinium Salts. J. Chem. Soc. 426. (120) Dewar, M.J.S. & McNicoll (Rogers), H. 1959 Mechanism of the Benzidine Rearrangements. Tetrahedron Letters 5, 22. (121) Chissick, S.S., Maitlis, P.M. & Dewar, M.J.S. 1959 A Boron Containing Purine Analogue. J.A.C.S. 81,6329. (122) Dewar, M.J.S. & Dietz, R. 1959 Aromatic Boron-Oxygen Heterocycles. Tetrahedron Letters 14, 21. (123) Dewar, M.J.S. & Ganellin, C.R. 1959 The Tropylium Ion. Part IV. Conversion of Cyclohepta-2,4,6- Trienecarboxylic Acid into Tropylium Salts. J. Chem. Soc., 2438. (124) Dewar, M.J.S. & Ganellin, C.R. 1959 The Tropylium Ion. Part V. Synthesis of Cyclopropa [l]Phenanthrene Derivatives and Attempted Formation of the Dibenzo[a,c]-Tropylium Cation. J. Chem. Soc., 3139. (125) Dewar, M.J.S. & Puttnam, N.A. 1959 Acid-Catalysed Rearrangements of Alkyl Aryl Ethers. Part I. Rearrangement of Butyl Phenyl Ethers with Aluminium Chloride. J. Chem. Soc., 4080. (126) Dewar, M.J.S. & Puttnam, N.A. 1959 Acid-Catalysed Rearrangements of Alkyl Aryl Ethers. Part II. Rearrangements in the Presence of Sulphuric-Acetic Acid Mixtures. J. Chem. Soc., 4086. (127) Dewar, M.J.S. & Puttnam, N.A. 1959 Acid-Catalysed Rearrangements of Alkyl Aryl Ethers. Part lIm. Rearrangements in the Presence of Aluminium Bromide; the Mechanism of Such Rearrangements. J. Chem. Soc., 4090. (128) Dewar, M.J.S. & Puttnam, N.A. 1960 Acid-Catalysed Rearrangements of Alkyl Aryl Ethers. Part IV. Rearrangement of Alkyl Tolyl Ethers by Aluminium Chloride. J. Chem. Soc., 959. (129) Dewar, M.J.S. & Dietz, R. 1960 New Heteroaromatic Compounds. Part V. Some 9,10-Boroxarophenanthrenes. J. Chem. Soc., 1344. (130) Dewar, M.J.S. & Kubba, Ved P. 1960 New Heteroaromatic Compounds. Part VI. Novel Heterocyclic Compounds of Phosphorus. J.A.C.S. 82,5685. (131) Dewar, M.J.S. & Kubba, Ved P. 1960 New Heteroaromatic Compounds. Part VII. Chloro and Bromo Derivatives of 10-Hydroxy-10,9-Borazaro-Phenanthrene. J. Org. Chem. 25, 1222. (132) Dewar, M.J.S. & Schmeising, H.N. 1960 Resonance and Conjugation II. Factors Determining Bond Lengths and Heats of Formation. Tetrahedron 11, 96. (133) Dewar, M.J.S., Lucken, E.A.C. & Whitehead, M.A. 1960 The Structure of the Phosphonitrilic Halides. J, Chem. Soc., 2423. (134) Chissick, S.S., Dewar, M.J.S. & Maitlis, P.M. 1960 New Heteroaromatic Compounds Containing two Boron Atoms. Tetrahedron Letters 23, 8. (135) Dewar, M.J.S. & Maitlis, P.M. 1960 Conversion of 10-Hydroxy-10,9-Boraarophenanthrene into 10-Hydroxy- 10,9-Boroxarophenanthrene. Chem. and Ind., 1626. (136) Dewar, M.J.S. & Maitlis, P.M. 1961 New Heteroaromatic Compounds. Part VII. The Reactions of Some Borazarophenanthrenes with Methyl and Phenyllithium. J.A.C.S. 83, 187. (137) Dewar, M.J.S., Dietz, R., Kubba, Ved P. & Lepley, Arthur R. 1961 New Heteroaromatic Compounds. Part X. Grignard Reactions and Hydride Reductions of B-Oxides Derived from 10,9-Borazarophenanthrene and 2,1- Borazaronaphthalene. J.A.C.S. 83, 1754. (138) Dewar, M.J.S. & Kubba, Ved P. 1961 New Hetercaromatic Compounds. Part XI. Friedel-Crafts Acetylation of 10-Methyl and 10-Hydroxy- 10,9-Borazarophenanthrene. J.A.C.S. 83,1757. (139) Dewar, M.J.S. & Dietz, R. 1961 New Heteroaromatic Compounds. Part XII. Further Evidence for the Aromaticity of the Bcrazarenes. Tetrahedron 15, 26. (140) Dewar, M.J.S. & Maitlis, P.M. 1961 New Heteroaromatic Compounds. Part XMI. Reactions of 10-Substituted 9-Ethoxycarbonyl-10:9-Borazarophenanthrenes. Tetrahedron 15, 35. (141) Chissick, S.S., Dewar, M.J.S. & Maitlis, P.M. 1961 New Heteroaromatic Compounds. Part XIV. Boron- Containing Analogs of Purine, Quinazoline, and Perimidine. J.A.C.S. 83,2708. (142) Dewar, M.J.S. & Dietz, R. 1961 New Heteroaromatic Compounds. Part XV. Halogenation of 2-Methyl-2,1- Borazaronaphthalene. J. Org. Chem. 26, 3253. (143) Dewar, M.J.S. & Hojvat, N.L. 1 51 The SPO (Split P-Orbital) Method and its Application to Ethylene. J. Chem. Phvs. 34, 1232.

Dewar 5 This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (144) Dewar, M.J.S. & Hojvat, N.L. 1961 The SPO Method I. Further Definition and Application to Acetylene. Proc. Roy. Soc. A264, 431. (145) Dewar, M.J.S. & Lepley, Arthur R. 1961 Pi-Complexes I. Charge Transfer Spectra of Pi-Complexes Formed by Trinitrobenzene with Polycrylic Aromatic Compounds. J.A.C.S. 83,4560. (146) Dewar, M.J.S. & Rogers, Hilary 1962 Pi-Complexes I. Charge Transfer Spectra of Pi-Complexes Formed by Tetracyanoethylene with Polycyclic Aromatic Hydrocarbons and with Heteroaromatic Boron Compounds. J.A.C.S. 84, 395. (147) Dewar, M.J.S. 1962 The SPO Method; Reply to Dr. J.S. Griffith. J. Chem. Phys. 36, 1689. (148) Dewar, M.J.S. & Fahey, R.C. 1962 The Stereochemistry of the Polar Addition of Hydrogen Bromide to Acenaphthylene. J.A.C.S. 84, 2012. (149) Dewar, M.J.S. & Dougherty, R.C. 1962 Boron-Containing Analogs of Isoquinoline. J.A.C.S. 84, 2648. (150) Dewar, M.J.S. & Sabelli, N.L. 1962 The Split P-Orbital (SPO) Method. mI. Relationship to Other MO Treatments and Application to Benzene, Butadiene, and Naphthalene. J. Phvs. Chem. 66, 2310. (151) Dewar, M.J.S. & Marr, P.A. 1962 A Derivative of Borazarene. J.A.C.S. 84, 3782. (152) Dewar, M.J.S., Dougherty, R.C. & Fleischer, E.B. 1962 Triben7otlaarene; an Unusual Poycyclic Organoboron Compound. J.A.C.S. 84, 4882. (153) Dewar, M.J.S., Kaneko, C. & (in part) Bhattacharjee, M.K. 1962 New Heteroaromatic Compounds. Part XVI. Compounds with Heteroatoms at Bridgeheads. J.A.C.S. 84,4884. (154) Dewar, M.J.S. & Grisdale, P.J. 1962 Substituent Effects. I. Introduction. J.A.C.S. 84, 3539. (155) Dewar, M.J.S. & Grisdale, PJ. 1962 Substituent Effects. II. The Preparation of a Series of S"ctitlted 1- Naphthoic Acids. J.A.C.S. 84, 3541. (156) Dewar, M.J.S. & Grisdale, P.J. 1962 Sustituent Effects m. Acid Dissociation Constantn of Substituted 1- Naphthoic Acids and Carbonyl Stretching Frequencies of Their Esters. J.A.C.S. 84, 3546. (157) Dewar, M.J.S. & Grisdale, P.J. 1962 Substituent Effects. IV. A Quantitative Theory. J.A.C.S. 84, 3548. (158) 1963 Aromatic Rearrangements, Chapter 5 in Molecular Rearrangements (ed. de Mayo, Paul), pp. 295-344. Interscience Publishers. (159) Dewar, M.J.S. & Poesche, W.H. 1963 A New Route to Polycyclic Benzocinnolines. J. Chem. Soc., 2201. (160) Dewar, M.J.S., Fahey, R.C. & Grisdale, PJ. 1963 Fluorine-19 ltesonance in Monofluoro Aromatic Compounds. Tetrahedron Letters 6, 343. (161) Dewar, M.J.S. & Talati, A.M. 1963 A New Organometallic Semiconductor. J.A.C.S. 85, 1874. (162) Dewar, M.J.S. & Fahey, R.C. 1963 Electrophilic Addition to Olefins. I. The Stereochemistry of Addition of Deuterium Halides to Acenaphthylene. J.A.C.S. 85, 2245. (163) Dewar, M.J.S. & Fahey, R.C. 1963 Electrophilic Addition to Olefins. II. Addition of Deuterium Halides to Indene; the Mechanism of Addition. J.A.C.S. 85, 2248. (164) Dewar, M.J.S. & Poesche, W.H. 1963 New Heteroaromatic Compounds. XVII. Boron-Containing Analogs of Benz[alanthracene. J.A.C.S. 85, 2253. (165) Dewar, M.J.S. & Fahey, R.C. 1963 Long-Range in the Nuclear Magnetic Resonance Spectra of Acenaphthene Derivatives. J.A.C.S. 85, 2704. (166) Dewar, M.J.S. & Chung, A.L.H. 1963 SPO Method. IV. Calculations for the (2p)2 State of Helium. J. Chem. Phvs. 39, 1741. (167) Dewar, M.J.S. & Grisdale, P.J. 1963 New Heteroaromatic Compounds. XVII. Fluoro Derivatives of 10- Methyl- 10,9-Borazarophenanthrene. J. Org. Chem. 28, 1759. (168) Dewar, M.J.S. 1963 Quantum Theory of Conjugated Systems. Rev. Mod. Phys. 35, 586. (169) Dewar, M.J.S. 1963 Resonance and Conjugation. III. The Effect of Alkyl Substituents on Positive Ions. Tetrahedron 19, Suppl.2, 89. (170) Dewar, M.J.S. & Fahey, R.C. 1963 Electrophilic Addition to Olefins. Im. The Stereochemistry of Addition of Deuterium Bromide to I-Phenylpropene. J.A.C.S. 85, 3645. (171) Chung, Dewar & Sabelli 1964 Electron Correlation in Pi-Electron Systems. In Molecular Orbitals in Chemistry, Physics and Biology. (ed. Lowdin, Per-Olov), pp. 394-404. New York: Academic Press. (172) 1964 Heteroaromatic Boron Compounds, Chapter 5. In Progress in Boron Chemistry Vol 1., pp. 235-263. Pergamon Press. (173) Dewar, MJ.S., Hashmall, J. & Kubba, Ved P. 1964 New Hetereoaromatic Boron Compounds. XIX. Water- Soluble Derivatives of 10,9-Borazarophenanthrene and 2,1-Borazaronaphthalene as Potential Agents for Neutron Capture Therapy. J. Org. Chem. 29, 1755. (174) Dewar, M.J.S. & Dougherty. R.C. 1964 New Heteroaromatic Compounds. XX. Derivatives of 4,3-Borazaro- Isoquinoline. J.A.C.S. 86, 433. (175) Dewar, M.J.S. & Poesche, W.H. 1964 New Heteroaromatic Compounds. XXI. Some Tetracyclic Systems. J. Org. Chem. 29, 1757. (176) Culling, G.C., Dewar, M.J.S. & Marr, P.A. 1964 New Heteroaromatic Compounds. XXIII. Two Analogs of Triphenylene and a Possible Route to Borazarene. J.A.C.S. 86, 1125.

Dewar 6

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (177) Dewar, M.J.S. & Talati, AM. 1964 Organometallic Semiconductors. I. Derivatives of Oximes of 1,5-Diacyl- 2,6-Dihyroxynaphthalenes. J.AC.S. 86, 1592. (178) Dewar, MJ.S. & Dougherty, R.C. 1964 A Novel Disproportionation of Arylboronic Acids. Tetrahedron Letters 16, 907. (179) Dewar, M.J.S. & Fahey, R.C. 1964 Polar Addition of Hydrogen Halides onto Olefins [11. Angewandte Chemie 3, 245 (Intnl. Ed.); ibid 76, 320 (German Ed.). (180) Dewar, M.J.S. & Narayanaswami, K. 1964 The Formation of Biphenyls from Derivatives of Benzene-l,4- Diazooxide. Electrophilic Substitution. J.AC.S. 86, 2422. (181) Dewar, M.J.S. & Schroeder, J.P. 1964 Liquid Crystals as Solvents. I. The Use of Nematic and Smectic Phases in Gas-Liquid Chromatography. JA.C.S. 86,5235. (182) Dewar, MJ.S., Gleicher, GJ. & Robinson, B.P. 1964 Syntht s and Nuclear Magntic Resonance Spectrum of 10,9-Borazaronaphthalene. J.A.C.S. 86,5698. (183) Dewar & Marchand 1965 Physical Organic Chemistry: Pi-Cnmplexes as Intermediates in Organic Reactions. In Annual Reviews of Physical Chemistry Vol. 16, pp. 321-346. (184) Chung, A.L.H. & Dewar, M.J.S. 1965 Ground States of Conjugated Molecules. I. Semiempirical SCF MO Treatments and its Application to Aromatic Hydrocarbons. J. Chem Phys. 42,756. ( 185) Dewar, MJ.S. & Gleicher, G.J. 1965 Ground States of Conjugated Molecules. I. Allowance for Molecular Geometry. J.A.C.S. 87,685. (186) Dewar, MJ.S. & Gleicher. G.J. 1965 Ground States of Conjugated Molecules. m. Classical Polyenes. J.A.C.S. 87,692. (187) Dewar, M.J.S. & Gleicher, GJ. 1965 Self-Consistent Field Molecular Orbital Cilcilations for Cyclobutadiene. J.A.C.S. 87, 3255. (188) Dewar, MJ.S. & Thompson Jnr., G.C. 1965 Ground States of Conjugated Molecules. IV. F.stimation of Chemical Reactivity. J.A.C.S. 87,4414. (189) Dewar, MJ.S. & Gleicher. GJ. 1965 Ground States of Conjugated MolecelPs V. Fused Cyclobutadienes. Tetrahedron 21, 1817. (190) Dewar, MJ.S. & Gleicher, GJ. 1965 Ground States of Conjugated Molieules VI. Calicene Derivatives. Tetrahedron 21, 3423. (191) Dewar, M.J.S. & Gleicher, G.J. SCF MO Calculations for the Three Monobenzazulenes. Tetrahedron Letters 50, 4503-4508. (192) Dewar, M.J.S. & Rona, P. 1965 Doubly Charged Ions in the Mass Spectra of Some Organoboron Derivatives. J.A.C.S. 87, 5510. (193) Dewar, M.J.S. & Schroeder, J.P. 1965 P-Alkoxy and P-Carbalkoxyben7x tes of Diphenols. A New Series of Liquid Crystalline Compounds. J. Org. Chem. 30,2296. (194) Dewar, M.J.S. & Schroeder, J.P. 1965 Liquid Crystals as Solvents. U. Further Studies of .iquid Crystals as Stationary Phases in Gas-Liquid Chromatography. J. Org. Chem 30, 3485. (195) Dewar, M.J.S. 1965 Resonance, Conjugation and Hyperconjugation. C and E News 43, 86-89. (196) 1965 Chemical Reactivity. Academia Nazionale del Lincei Conferenze, VI Corso Estiro di Chimica p. 181. (197) Dewar, MJ.S. & Marchand, A.P. 1966 Substituent Effects. V. Further Evidence Concerning the Nature of the Inductive Effect J.A.C.S. 88, 354. (198) Dewar, MJ.S. & von Rosenberg Jnr., J.L. 1966 New Heteroaromatic Compounds. XXIV. Bromination and Nitration of 4-Methyl-4,3-Borazaroisoquinoline. J.A.C.S. 88, 358, (199) Dewar, M.J.S. & Gleicher, G.J. 1966 Ground States of Conjugated Molecules. VII. Compounds Containing Nitrogen and Oxygen. J. Chem. Phys. 44. 759. (200) Dewar, MJ.S., Gleicher, G.J. & Thompson Jnr., C.C. 1966 Ground States of Conjugated Molecules. VIII. Bridged Hydrocarbons and Hydrocarbon Ions. J.A.C.S. 88, 1349. (201) Dewar, M.J.S. & Goldberg, R.S. A Convenient Route to 4,4'-Dialkoxyazoxybenzenes. Tetrahedron Letters 24, 2712-2720. (202) Dewar, MJ.S. & Marchand, A.P. 1966 Substituent Effects. VI. Fluorine Nuclear Magnetic Resonance Spectra of 3'- and 4'- Substituted 4-Fluorobiphenyls and 3'- Substituted 4-Fluoroterphenyls. J.A.C.S. 88, 3318. (203) Dewar. M.J.S. & Thompson Jnr.. C.C. 1966 Pi-Molecular Complexes. HI. A Critique of Charge-Transfer and Stability Constants for Some TCNE-Hydrocarbon Complexes. Tetrahedron Suppl. 7,97-114. (204) Adcock, W., Dewar, MJ.S. & Johnson, G.R. 1966 Bromination of l-Amino-4-Fluoronaphthalene. Tetrahedron Letters 43, 5307-5310. (205) Dewar, M.J.S. 1966 A Molecular Orbital Theory of Organic Chemistry. VIII. Tetrahedron Suppl. 8, 75-92. (206) Andrulis Jnr., P.J., Dewar. M.J.S.. Dietz, R. and Hunt. R.L. 1966 Aromatic Oxidation by Electron Transfer. I. Oxidations of p-Methoxytoluene. J.A.C.S. 88, 5473. (2)7) Aratani. T. & Dewar, MJ.S. 1966 Aromatic Oxidation by Electron Transfer. I. Oxidations of Aromatic Ethers and Amines by Manganic Acetate. J.A.C.S. 88, 5479. (208) Andrulis Jnr., P.J. & Dewar. MJ.S. 1966 Aromatic Oxidation by Electron Transfer. mI. Oxidation of 1- and 2- Methoxynaphthalene by Manganic Acetate. J.A.C.S. 88, 5483.

Dewar 7 This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (209) Dewar, MJS., Dewar. R.B.KI & Gaibel, Z.LF. 1966 10-Metyl 9-BIa-=opbe-=-aaree (Dibzc] (121 azaborie5.6-dihydmr-6-m1ehyl). $. VdL4,665. (210) Adcock, W. & Dcwr, MJ.S. 1967 Subsitue Effcts VII. Tbe F Nuclr Magic R of Substiumcd 1- and 2-Fluoroaphth . JA.CS. 9. 379. (211) Adcock, W. & Dewar. MJ.S. 1967 Substnt Effcs. VUL Syntesis of S t Apa and Be Fluoronrdmthaknes J.A.C.S. 89, 386. (212) Dwar, MJ.S. & Takeuchi, Y. 1967 Sustimem Effects. DC 'H ad 'F Nucear Magneic Reso e Spca of 4-Substituted 3,5-Dimehyl-fluorobenzenes J.A.CS. 89, 390. (213) Dewar, M.J.S. & Jones, R. 1967 New Heter m Comp ds. XXV. Studies of Sak Format in uBoro Oxyacids by "B Nuclear Magnetic Resonace. JA.CS. 89, 2408. (214) Dewar, MJ.S. & Kelemen, J. 1967 Photoeecto Spectra of Flurinatd Benzeas Tetahedmn L s 25, 2341-2344. (215) Dewar, MJ.S., Scirocder, J.P. & Schroeder, D.C. 1967 Molcular Onder in the Nenatic Mesop es of 4,4- Di-n-hexyl-oxyazoxybenzene and its Mixwtres with 4,4-Dimetboxyazoxybene J. Oe Chm 32 1692. i216) Dewar. MJ.S. & Klopman. G. 1967 Ground Sates of Sigma-Boded Molecules I. A Semi-empiica SCFMO Treament of Hydrocaubons. J.A.C.S. 89.3089. (217) Dewar, M.J.S. 1967 Some Rccent Developments in the Theory of Conjugated Systems. Aropmit No. 21, 177-215. (218) Baird, N. Colin & Dewar, MJ.S. 1967 Ground Stales of Sigma-Bonded Molecules. I. Srina Fnegies of Cycipropanes. .A.C.S. 89. 3966. (219) Davies, K.M., Dewar, MJ.S. & Rona, P. 1967 New Heenroar tic Compounds. XXVI. Syntesis of Borazarenes. JA.CS. 89,6294. (220) Baird, N.C. & Dewar. MJ-S. 1967 Ground Staes of Sigma-Bonded Molecules. Im. Valence-Shel and Pi- Electron SCF MO Calculations for Conjugated Hydrs nboas. Tbem Cue. 9, 1. (221) Bentley, M.D. & Dewar, MJ.S. 1967 Some Pi-Molecular Complexes Sbowiug No Charg-Transer Spectra Formed by p-Toluencsulfonic Esters. Tetrahedon I ectrs No,I,, 3043-5047. (222) Dewar. MJ.S. & Squires, T.G. 1968 Substitucn Effcts on Fluorinc-19 Chemial Shifs in Saurated Sysems J.A.C.S. 90,210. (223) Davis, F.A., Dewar. MJ.S. & Jones. R. 1968 New Heter1oaumtic Compounds. XXVI Boro hemical Shifts of Some 'etreoaromatic Boron Compounds J.A.C.S. 9, 706. (224) Dewar, MJ.S. & Kelemen, J. 1968 SCF MO Calculations on Fluoro-aromatic Cmpounds. Chimi 22, Heft 1. (225) Bentley, M.D. & Dewar. MJ.S. 1968 The Solvolysis of Aryletyyl p-Tolunensulfontes. J.A.CS. 9, 1075. (226) Dewar, MJ.S. & Logan Jr., R.H. 1968 Patial Rate Factors in the Nitration of IO-Methyl-0,9- Borazarophenanthrene. J.A.C.S. 90, 1924. (227) Dewar, MJ.S. & Jones, R. 1968 New Heteroomatic Compounds. XXVm. Prepamr :on and roperties of 10,9-Borarasonaphtbalene. J.A.C.S. 90,2137. (228) Dewar, MJ.S., Hashnall, J.A. & Venier, C.G. 1968 Ground States of Conjugated Moleculs. KX. H oydrocamn Radicals and Radical Ions. J.A.C.S. 90, 1953. (229) Dewar, MJ.S. & Jones, R. 1968 New Heteroaroiatic Compounds. XXXI. The 12,11-Boz Cation. Tetrahedroq Letters No.22, 2707. (230) Dewar, MJ.S.. Jones, R. & Logan Jr., RH. 1968 New Hetea ac Compounds. XXIX. Te Mcchwwin of Salt Formation in Some Nitroborazarophenanthrenes. J. Org Chem. 33, 1353. (231) Davis, F.A. & Dewar MJ.S. 1968 New Heteroaromatic Compounds. XXX. A Derivative of 10,9- Borathiarophenanthrene. J.A.C.S. 90. 3511. (232) Dewar, MJ.S. 1968 The Transmission of Polar Effects: the Reversed Dipolar Substitue Effect Chae Comm., 547. (233) Dewar. MJ.S. & Harris. J. Millon. 1968 Rates of Solvolysis of 2-Cyclopropylethyl Brosylates. J.A.CS 90. 4468. (234) Crowley, A.H., Dewar, M.J.S. & Jackson. W. 1968 Restricted Rotation around Phosphorus-Nitroge Bonds. J.A.C.S. 90, 4185. (235) Davis, F.A. & Dewar, M.J.S. 1968 10-Hydroxy-10,9-Boroxarophenanduthic A Lewis Acid . JOrg. Ch0 a 33, 3324. (236) Dewar, MJ.S. & Hashmall. J.A. 1968 Approximate LCAO MO Treatment of Conjugated Polymers. . Cbem Phs. 49,492. (237) Dewar, M.J.S. & Kelemen. J. 1968 Ground States of Conjugated Molecules. X- 1F NMR Chemical Shifts in Aryl Fluorides. J. Chem Phys. 49.499. (238) Dewar. M.J.S. & Nakaya. Tadeo. 1968 Oxidative C^-.'ing of Phenols. JA.C.S. 90 7134. (239) Dewar. M.J.S. & Worley. S.D. 1968 Ionization Potential of Cis-l,-Butadicne. J. CheaL Phys. 49 No5. 2454- 2455. (240) Dewar, M.J.S. & Worley. S.D. 1969 Photoelectron Spectra of Molecules. I. lonizarinn Potentwial of Some Organic Molecules and Their Interpretation J. Chem. Phys. 50, 654.

Dewar 8

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (241) Baird, N.C. & Dcwr. MJ.S 1969 Gromd St S of SianBamk,d Mous V. t ans d its Ir Inductive Effacts in Bezn. A.,C. 91, 352. (242) Dewar, MJ.S. & de LaIo, C. 1969 Ground St,4s of Congated Modleu X.L n ed Trearmnt of Hydocar~bons. J-AC.S. 1, 789. (243) Dewr, MJ.S. & M ita, T. 1969 Gudl Ster of Coi _nug t e XII. Imv d C l for Comnpounds Coti Nig Nrogen or Oxyga -C 91S . 796. (244) Dewar, MJS. & Morita T 1969 Grond Stases ofCojad M X Bacsdi Of Conjugatd Carbonyl Copod. .A.C.S. 91. 02. (245) Baird, N.C. Dewar, MJ.S. 1969 Groud Sts of Sin-Bonded Moleculke. IV. The MINDO Meol and its Appication to Hydrocabons. J. Cha pys. SI, 1262. (246) Baird, N.C., Dwar. MJ.S. & Ssnafi. R 1969 Groul d Sts of Sigm-Boned Moleules. V. MINDO Treatment of Orgaic Compounds Coaini Nitroe or Oxyg J. Cem. P s5 1275. (247) Davis. F.A.. Dewr, MJ.S. . Jones, R & Worey, SD. 1969 New Hemraatic Coma m unds XXXil. Pr opties of 10.9-Bcrazarompthale and 9-Aza- I0-Boadec.. J 91,2094. (248) Dewar, MJ.S. & Rona, P. 1969 Barriers to Inenaal Rotaion in A inonranes ad in ctanbmthyoxndinim Bromide. J.A.C.S. 91, 2259. (249) Cowley, A.H., Dwar, MJ.S., Jenings, W.B. & Jacisom W.R 1969 1 tequein of the Nude Magtic Resonance Spcctrm of Di-(is,ropylnaropTyIpcq4pin Sulphidc. al O aB 33 482 (250) Dewar, MJ.S. & Harris, J. M. 1969 The Stochemistry of d of Secondy Cydop y1q Brmnides with Lithiumr J,ATC.S 91, 3652- (251) Dwar, MJ.S. Shanshal, M. 1969 Inversion Baris by the MINDO Jbthod. 91,3654. (252) Dwar. MJ.S. & Jennings, B. 1969 Roation-versio Barriers in Hydrzines. JA.C3. 91 3655. (253) Dcwar. M.J.S., Shansal. M. & Worley, S.D. 1969 Caulae d Oered O loizatiom Pot k of Niroalkanes and of Nitrous and Nitric Acids and Esters, F'wt ion of thi MINDO Meodd to Niboen- Oxygen Compounds. J.A.C.S. 91, 3590. (254) Dcwar, MJ.S. & Tinajstic, N. 1969 Aroaicity in Polycylic Anmsles. Tldi=Ych'r L,fR 2 2129. (255) Dewar. M.J.S. & Worley, S.D. 1969 Photo tr Sectra of Mol IL. The I omiztion Pea l of Azabenznes and Azanaphdralaes. J. ChbinL ph. 51, 1. 263. (256) Dewr, M.J.S. & Trinajstic, N. 1969 Theoreica Study ofCyclazins. f X. qS,So(A), 1754. (257) Dew.r, MJ.S. & Worey, S.D. 1969 Phooelectro Spectrum of l T Triicarbooy and a Theorical Study of Tnmethylenemetmhne. J. Qt, Pb_s. 51,4,1672. (25 ) Sustmann. R., Williams, J.E., Dewar. MJ.S.. Allen. LC. & Sdeyer, P. Von R. 1969 Mlclar Orbit Calculations on Carbonium Ions. II. The Methyl, Ehyl,. and Viny Cati.n Te Series CH. J.A.C. 91, 5350. (259) Dewar, MJ.S., Harget. AJ. & Tnnajstc. N. 1969 Ground Saes of Conjugated Moecules. XV. Bond Localization and Resonance Energies in Compounds Coptaming Nitrogen or Oxyge JA.C.S. 91, 6321. (260) Dewar, MJ.S. & Trinajstic. N. 969 Ground Stes of Conjuged Moleculs. XIV. Redox Porias of Quinones. Tetrahedro 25,4529. (261) Dewar, MJ.S.. Haret. A. & Hasdlbach. E. 1969 Cyclooctar and Ions Derived from It. fLA.C,, 91, 7521. (262) Bodor, N. & Dcwar, MJ.S. 1969 Ground Staes of Sigma-Bonded Molecule.s VI MINID Calcultion for Species Involved in Nitration by Acetyl Nitrate. Teto d 25, 5777. (263) Bodor. N., Dewar, MJ.S. & Worlky S.D. 1970 Pbotolectron Spectra of Molck. . Ionizatio Potetials of Some Cyclic Hydrocarbons and Their Dervatives, and Heat of Frmation and Ionizatio Potetials Calculated By the MINDO SCF MO Method. J^AC., 92, 19. (264) Dewar. MJ.S. & Haselbach. E. 1970 Ground ,tates of Sigma-Bonded Molecules. IX. The Mirio2 Method. J.A.C.S. 92,590. (265) Dewar, MJ.S. & Jennings W.B. 1970 Barriers to Rotation and Nirogen Invrio in Hydrazine. TeabhkM Letters No.S, 339. (266) CrowIcy. A.H., Dewar MJ.S., Jackson. W.R. & Jennings, W.B. 1970 Concening the P-N Rotational Barrirs in Amino-Ptosphines. J.A.C.S. 92. 1085. (267) Dewar. MJ.S. & Goldberg. R.S. 1970 The Role of tP-Phnylc Groups in Nmatic Liquid Crystals. J.A.C.S. 92. 1582. t268) Dewar. MJ.S.. Haselbach. E. & Worey, S.D. 1970 Calculate ad Obs d IOpirv ion Potentials of Unsaturated Poly-cyclic Hydrocarbons Calculated Heats of Formation by Several Semic mirical SCF MO Methods. Prc. Roy. Soc. A315. 431. (269) Dcwar, M.J.S. & Harget. AJ. 1970 Ground States of Conjugated Moleculs XVI. Treament of Hydroarbons hy LCAO SCF MO. Proc. Roy. Soc. 315 443. (270) Dewar. MJ.S. & Harget. AJ. 1970 Ground States of Conjugated Molecules. XVII. LCAO SCF MO Treatm t of Compounds Containing Nitrogen and Oxygen. Proc. Roy. Soc. A315, 457.

Dewar 9 This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms 271 ) Dewar. MJS. & Tnnajstic. N. 1970 Ground Stms of Cojuged MotUcLt XX. SCF MOTritmnt Off Compounds Containg Biwat Sudfur. JAC4 92, 1453. (272) Dewar. MJS. & MichL J. 1970 Syntrsis y d ml N M l Spra iof r r and a Practical Synthesis of 7-Substued naUtes. 'I3e c , 375. (273) Bodor. N.. Dewr. MJS. a Harget AJ. 1970 Groem Stes of Cnted UMolcdc. XIX T uaai of Hetcroaomati Hydroxy and Amino Derivtivs d NIcdeode Bses ILAoCS 9 2929. (274) Dewa. MJ.S. & Pyron. RS. 1970 Natu of the Tnsitm Ste in Some DikAlder Reactiom. I4C.$. 92 3098. (275) Dewar. MJ.S.. Haseltacht E & Shansanl. M. 1970 bnwtiom Reactos of S Carbon Aos i DoaMe Bods. JI.AC.S. 2. 30S-5 (276) Dewar, MJ.S. & Wassos IS. 1970 Loog-Rafge Cosuplings beten Lone-Pair E tros ad lDoMe Bonds. I.A-CS. 92 3506. (277) Dewa. MJ.S. & Trinajsz. N. 19711 Resoance EwgiPes of So Compmonds Coriaing Nitroe Oxygen.. 1poaL Chiam A;c (Berl.) 17.235. (278) Bodor. N., Dewar. MIS. Hargt. A & Ha& b 1ch 1970 GCund States of Sig*aBonded MolcIes. X. Extknsion of lcMINX) 2 Mcth to Comp dsCo trogenndl Oyg 3854. (279t Benlcy. M_D & Dewar. MJ.S. 1970 The Sdlvolysis of Aryteihyal Haldes and pTwr Jr . 92. 3991. (20)f Benley, M.D. & Dewar. MJS. 170 The Sdovolysis of 2-Aryletyl - JACS. 2, 399. (281 Dcwar. MJS. & Paeerion D.B 1970 nAl cl QIadn e R_eoa ce Spectra of Hcxamethyklialuminum. Cbqht CoIN, 544. (22) Dewar. MJ.S. & Hart. L S. 1970 Anbaalic Rrea-ngeaeaes in e DBent Series L The Fries Reawrn ena of Phenyl Bzoe: the Beoyl a of PIaoI. T c 2 73 t283 Dewar. MJS. & Ha. LS. 1970 Aroamic Rc_nwrmrmu ine d- Benz Series. IL Fries Rearrangeaen of 4-Biphcnyl Biphenyl-4-Carboxyale. 26, 1001. 284 Bxkdr. N. & Dewr. MJS. 1970 Grnmd Staes of Sig-DBomed Moecu. XL C tr An by MINDO 2 Method. J.AC.$. 92.4270. (285) Dewar. MJ.S. & Tnnajsts. N. 1970 Triplet Staes of Aromaic Hydrocarbos. Cn c Co.. 646. (286) Bcntky. M.D. & Dcawr. M_ S. 1970 Proton Nucar Magnetic Rae c Specr of Arytahyl Syscms. L Qr. )PF j35. 2707 (287) Dewr. MJ.S. & Golderg. R.S 1970 Effects of Ctral ad Tennia Grops on N atic MIopha SLability. Q r Lm 35. 2711 428K) Cowkey. AH. Dewar. MJ.S. Jackson. W.R. & Jening W.B. 19701 The SrTc hiytr of Amunophosphines IJAC.. 95. 5206 (2K9) Brown. A-, Dewar. M J.S. & Schnoellr. W. 1970 MINDO 2 Stidy of te Cqpe 5516. 219(1) Dewar. MJ.S.. lihaiuall. I A. & Tnnajst. N. 1970 Ground States of Conjugated Mocues XXII. Polarographc Reduction Potntiah of Hydrocarbons. JACS, 2. 555. 4291 Bodor. N.. Dcwr. M J S .. knmns. W.B. & Worley. S.D. 1970 Photoelctron Spectra of Molecues. IV. lonizason Potentals and Heats 4 f Fonamson of Some Hydraznes ad Amines. 264109. (292) Dwar. MJS.. Hascftbach. E Shanshal. M. 1970 MIINDO 2 Modell von in KoBenoff-D f Exsisurnden Spezies AWcw. Chsmou n 774. (293) Dewar. MJ.S.. Haselbach. E & ShanJa.l. M. 1970 MINDO 2 Treatment of Species Present in Carbon Vapor. Angew. Chenice 9.738 294) Dewar. MJS. & Trinajsic. N 1970 A SCF MO Treatme of Some Tropone Derivtives. CQaittSi Sa Acta 42. 1. (295 Dewar. MJ.S., Harget. AJ. Tnnastic. N. & Worey. SD. 1970 Ground Staces of Conjugated Molecuks. XXI. Benzofurans and Benropyroles. Tctqor 26. 4505. 296* Dewar. MJ.S. & TrinaJaic. N1970 Quantum Cemical Data. L SCF Molecular Orita for BcnaMoid Hydrocarbons. Colection Czechoslov. CheUna oqinUn 35.3136. ( 197) Dewar. MJS. & Trinajstc. N 1970 Qu Chemical Data. II SCF Molecular Orbitals for Nohazenoid Hydrocarbons. Collcction Cechoslov. Chm. C1xnu 35. 344. (298) Dewar. MJ.S. & Hams. J M. 1970 Cyclopropyl Paicipaton in the Solvolysis of 2-Cycopropyltbyl Brosylates. IA.C.S. 92 6557. 1299) Dewar, MJ.S. & Trinajstic. N 1970 Ground Staes of Conjugated Molecules. XVIII Azepines and Oxepines. Tetrahdron 4269. (3(0) 1971 Qlwntit2iiw SCF MO Studies of Reaction Mechanisms. 23rd trnatioenal CGoess of Pn and Applied Chemistry. 26-30 Julv, Special Leccres. Vol.11. .Londo: Btterwonh. (301) Dewar. MJ.S. & Jennings. W.B. 1971 The Barrier to Pyramidal Inversion of Nitrogen in Dibenzylmethylamine J. A.C.S. 93.401.

Dewar 10

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (302) tDewar, M.J.S., Pauterson. D.B. & Simpson, W.I. 1971 Nuclear Quadrupole Resonancc Spectra of Some Alkyla1uminiuni Derivatives. J,A,XS.S 93, 1030. (03t)3 I)ewar, M.J.S. & Schoeller, W.W. 1971 Cope Rearrangements in the Bullvalene Series. J 1j93, 1481. (304 De)Cwar, M.IJS. & Shanshal. M. 1,' 1ot a.oud States of SSgma-Bondcd Molecules. XII. MINDO/l Studies of Inversion Barriers. Rotational Barfiers, jautomerism, and Hydrogen Bonding. 1. C&M. Soc. (A), 25. (.105) Dewar. MIJ.S., Lo. D.H., Patterson.. D.B.. Trinajstic, N. & Peterson, G.E. 1971 MINDO/2 Calculations of NuclcM Quadrupole Coupling Constants of the Chlorobenzrenes. Chcm, C[mf , 239. 306) Dewar, M.J.S. & Wassonr, J.S. 1971 Trimethylenemethane and the Methylenecyclopropane Rearrangement. I.Af .S, 93, 3081. .(307) DMwar. M.J.S. , Golden, R. & Spanninger, P.A. 1971 (308) New Heteroaronmuic Compounds. XXXIII. 5,1,3,4-Boratriazaroles. J,A.C.S, 93, 3298. (30(9) De?war, MIS. Kohn, M. & Trinajstic, N, 1971 Cyclobutadiene and Diphenylcyclobutadiene. J.A.C.S. 93, 3437. 1 M() D-wau-, M.J.S. & Trinajstic, N. 1971 Semni-empirical SCF MO Treatmcnt or Excited States of Aromatic Compounds. J. 4hcin. Soc. (A), 1220. I ) Dewar. M.IJS., Herr, J.L. & Marchand. A.P. 1971 Chlorine NQR Spectra of Chloronorbomanes and Chloronorbornenes. Tqipahcd(on 27, 2371. (312) Dewar, M.J.S. & Hlerr, IJL. 1971 Chlorine NQR Spectra of Some Benzyl Chlorides, Ally! Chlorides, and Chilorophosphines. 'rtrohecdron 27, 2377. (313) Dewar. M.IJS. & Kelcmitcn, J. 1971 LCAO MO Theory Illustrated by its Application to H2. J. Chen) Pd, 48, 494. (314; Dewar, MI.J.S.. Golden. R. & Harris, J.M. 1971 Substiwuent Effects. X. An improved Treatment (FMMF) of Substituent Effects. J.A.C.S. 93, 4187. (315) De-war, M.J.S. & Kirschner, S. 1971 MINDOI2 Study of Aromatic ("Allowed") Elec?trocyclic Reactions of Cyclopropyl and Cyclobutene. J.A.C.S. 93, 4290. (316) Dewar. M.J.S. & Kirschner, S. 1971 MINDO/2 Study of Antiaromatic ("Forbidden") Electrocyclic Processes. J.A.C.S. 93. 4291. (317) Dewar, M.IJS. & Kirschner, S. 197! Classical and Nonclassical Potential Surfaces. The Significance of Antuaromaticity in Transition States. J.A.C.O, 93, 4292. [31I) Bodor. N. & Dewar, M.J.S. 1971 Protonation of Cyclopropane. J.A.C.S, 93, 6685. (319 Dewar, Mi.J.S. & Schoeller. W.W. 1971 Ground States of Sigma-Bonded Molecules. XIII. 7-Norbornyl. 7- Norhornenyl and 7-Norbornadienyl lonis and Radicals. Tetrahedron 27, 440 1. (320) Devwar, M.J.S. 197! Aromaticity and Pericyclic Reactions. Angew, Chemie Vol.lO, Int. Ed., 761. (321) Dewar. M.J.S. 1971 Aromiatizitat und Pericyclische Reaktionen. Angew. Chemie 83, 859. (322) Dewar, M.J.S., Nahlovska, Z. & Nahlovsky, B.D. 1971 Diazabullvalene: "Nonclassical" Molecule? Chem. Comm., 1377. (323) Dewar, M.J.S. & Lo, D.H. 1971 Ground States of Sigma-Bonded Molecules. XIV. Application of Energy Partitioning to the MINDO/2 Method and a Study ol' the Cope Arrangement. J.A.C.S, 93, 7201. t324, Cone, C., Dewar, M.J.S., Golden, R., Maseles, F. & Rona, p. 1971 (325) Abundant Rearrangement Ions in thie Mass Spectra of Benzeneboronic Acid Derivatives. Chem. Commi., 1522. 312 6) Dewar, M.J.S. 1971 MO Theory as a Priactical Tool for Studying Chemical Reactivity. Topics in Current Chemistry. Fortschr. Chem. Forsch. 23. 1. i327) Dewar, M.J.S. & Spanninger, P.A. 1972 New Heteroaromatic Compounds. XXXIV. Bisboratriazaroles. Tetrahedron 28, 959. (328) Dewar, M.J.S. & Kohn, M.C. 1972 Ground States of Sigma-Bonded Molecules. XV. Barriers to Rotation atbout Carbon-Carbon Bonds. J.A.C.S. 94, 2699. (329) Dewar. M.JIS. & Kohn, M.C. 1972 Ground States of Sigma-Bonded Molecules. XVI. The Rearrangement of Methyl Is-ocyanide to Acetonitrile. J.A.C.S. 94, 2704. (330) Dewar, M.J.S. & Lo, D.H. 1972 Ground States of Sigma-Bonded Molecules. XVII. Fluorine Compounds. J.A.C.S. 94, 5296. (331) Bodor, N.,Dewar, M.J.S. & Lo, D.H. 1972 Ground States of Sigma-Bonded Molecules. XVIII. An improved Version of MINDO/2 and its Application to Carbonium Ions and Protonated Cyclopropanes. I,A.C.S, 94, 5303. (332) Dewar, M.I.S. & Spanninger, P.A. 1972 Mechanism of Rearrangement of Alkyl Phenyl Ethers Catalysed by Aluminium Bromide. I. Chem. Soc. Perkin Trans. II, 1204. (33 3) Dewar, M.J.S. & Metiu. H. 1972 Ground States of Molecules. XXI. MINDO/2 Pol 2ntial Surface for Ethane. Proc. Roy. Soc. London A330, 173. (334) Dewar, M.J.S. & Goodman. D.W. 1972- Photoelectron Spectra of Molecules. V. Polycyclic Aromatic Hydrocarbons. I. Chem. Soc. Faraday Trans.jI 68, 1784. (335) Dewar, MIJ.S. & Wasson,. JS. 1972 Ground States of Molecules. XIX. Carbene and its Reactions. J.A.C.S. 94, 909.5.

Dewar II

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (336) Bodor, N. & Dewar, M.J.S. 1972 Ground States of Molecules. XX. MINDO/2 Study of Some Carbenes and Their Intrmnolecular Rearrangements. J.A.C.S. 94,9103. (337) Bingham, R.C. & Dewar, M.J.S. 1972 Ground States of Molecules. XXII. Incorporation of Partial Configuration Interaction in MINDO/2 and its Application to Bond Dissociation Energies and Sigmatropic Arrangements. J.A.C.S. 94, 9107. (338) Dewar, M.J.S. & Weiner, P. 1972 Ground States of Molecules. XXIII. MINDO/2 Calculations for Naphthalene. Theoret. Chinl. Acta (Berl.) 27, 373. (339) 1972 The Anerican Chemical Scene in 1972. University of Sheffield. (340) 1973 The Role of Semi-empirical SCF MO Methods, Chapter 15. In Wave Mechanics, The First Fiftv Years. (ed. Price, W.C., Chissick, S.S. & Ravensdale,T.), pp. 239-254. Butterworth & Co. Publishers Ltd. (341 ) Dwar, M.J.S. & Wade, L.E. 1973 The Possible Role of 1,4-Cyclohexylene Intermediates in Cope Rearrangements. J.A.C.S. 95, 290. (342) Dewar, M.J.S. & Jennings, W.B. 1973 Conformational Interchange in Acyclic Hydrazines. J.A.C.S. 95, 1562. (343) Bodor, N., Dcwar, M.J.S. & Maksic, Z.B. 1973 Ground States of Molecules. XXIV. MINXD/2 Study of Some Reactions of Cyclopropylidene. J.A.C.S. 95, 5245. (344) Dewar, M.J.S. & Haddon, R.C. 1973 MINDO/3 Study of (CH). and (CH).. J.A.C.S. 95, 5836. (345) Goodman, D.W., Dewar, M.J.S., Schweiger, J.R. & Cowley, A.H. 1973 The Photoelectron Spectrum of Phosphorus Pentafluonde. Chem. Phys. Lett. 21, 3. (346) Cowley, A.H., Dewar, M.J.S., Goodman, D.W. & Schweiger, J.R. 1973 Stereochemical Dependence of Lone- Pair Interactions in the Photoelectron Spectra of Nitrogen-Phosphorus Compounds. J.A.C.S. 95, 6506. (347) Dewar, M.J.S. & Ramsden, C.A. 1973 (348) A MINDO/3 and NDDO Study of Antiaromatic Three-Membered Rings and Their Valence Tautomers. J. Chem. Soc. Chem. Comm., 688. (349) Olah, G.A., Liang, G., Schleyer, P.V.R., Engler, E.M., Dewar, M.J.S. & Bingham, R.C. 1973 1,4- Bicyclo[2,2,2loctyl Dictation. A Novel Pseudoaromatic System. J.A.C.S. 95, 6829. (350) Bingham, R.C. & Dewar, M.J.S. 1973 A MINDO/3 Study of the Factors Controlling Configurational Stability in Vinyl and Cyclopropyl Radicals. J.A.C.S. 95, 7180. (351) Bingham, R.C. & Dewar, M J.S. 1973 Antagonism between Substituents in Radicals. J.A.C.S. 95, 7182. (352) Adcock, W., Dewar, M.J.S. & Gupta, B.D. 1973 Substit,nent Effects. XI. Polar and Pi-Electron Substituent Effects by '9F Nuclear Magnetic Resonance. J.A.C.S. 95, 7353. (353) Dewar, M.J.S., Patterson, D. & Simpson, W.I. 1973 A Study of Bonding in Some Organoaluminium Compounds by 27A I Nuclear Quadrupole Resonance Spectroscopy. J. Chem. Soc. Dalton, 2381. (354) Dewar, M.J.S., Spanninger, P.A. & Turchi, I.J. 1973 Nature of the Intermediate in the Cornforth Rearrangement. J. Chem. Soc. Chem. Comm., 925. (355) Effect of Structure on the Stability of Nematic Mesophases. In Liquid Crystals and Ordered Fluids. Vol.2. (co- authors Dewar, M.J.S., Griffin, A. & Riddle, R.M.), (356) pp. 733-741. Plenum Press. (357) Dcwar, M.J.S., Haddon, R.C. & Weiner, P.K. 1974 MINDO/3 Study of the Electronic States of Methylene. J.A.C.S. 96, 253. (358) Dewar, M.J.S. & Haddon, R.C. 1974 MINDO/3 Study of the Multiplicity of Cyclopentadienate Cations. J.A.C.S. 96, 255. (359) Dewar, M.J.S. & Nahlovsky, B.D. 1974 Claisen Rearrangement of Cinnamyl Phenyl Ether in Isotropic and Nematic Solvents and in a Clathrate. J.A.C.S. 96, 460. (360) Cowley, A.H., Dewar, M.J.S., Goodman, D.W. & Padolina, M.C. 1974 Detection of Rotational Isomerism in Diphosphines and Diarsines by Photoelectron Spectroscopy. J.A.C.S. 96, 2648. (361) Cowley, A.H., Dewar, M.J.S., Goodman, D.W. & Padolina, M.C. 1974 A Photoelectron Spectroscopic Study of Polyphosphines. The Question of p_:d_ Bonding. J.A.C.S. 96, 3666. (362) Cowley, A.H., Dewar, M.J.S., Gilje, J.W., Goodman, D.W. & Shweiger, J.R. 1974 Relationship between the Photoelectron Spectra and Torsional Barriers of Aminophosphines. J. Chem. Soc. Chem Comm., 340. (363) Dewar, M.J.S., Kirschner, S. & Kollmar, H.W. 1974 Orbital Isomerisms as a Controlling Factor in Chemical Reactivity. J.A.C.S. 96, 5240. (364) Dewar, M.J.S., Kirschner, S., Kollmar, H.W. & Wade, L.E. 1974 Orbital Isomerism in Biradical Processes. J.A.C.S. 96 5242. (365) Dewar, M.J.S. & Kirschner, S. 1974 Nature of the Transition States in "Forbidden" Electrocyclic Reactions. J.A.C.S. 96, 5244. (366) Dewar, M.J.S. & Kirschner, S. 1974 Dimerization of Ethylene to Cyclobutane. J.A.C.S. 96, 5246. (367) Dewar, M.J.S., Haddon, R.C. & Student, P.J. 1974 MINDO/3 Study of [18]Annulene. J. Chem. Soc. Chem. Comm., 569. (36X) Dewar, M.J.S. & Li, W-K. 1974 MINDO/3 Study of Bisdehydrobenzenes. J.A.C.S. 96, 5569. (369) Dewar. M.J.S. & Turchi, I.J. 1974 The Cornforth Rearrangement. J.A.C.S. 96, 6148.

Dewar 12

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (370) Dewar, M.J.S. & Ram.sden, C.A. 1974 The Stevens Rearrangement: an Antiaromatic Pericyclic Reaction? L. Chem. Soc. Perkin I, 1839. (371) IDcwar, M.J.S., Griffin, A.C.& Kirschner, S. 1974 MINDO/3 Study of Some Diels-Alder Reactions. J.A.C.S. 96, 6225. (372) Dewar, M.J.S., Lo, D.H. & Maksic, Z.B. 1974 Additivity of Bond Energies in the Light of the Maximum Overlap Approximation (MOA) and MINDO/3. Croat. Chem. 4cta 46, 7. (373) Dewar, M.J.S., Haddon, R.C. & Suck, S.H. 1974 MINDO/3 Calculations of Molecular Electric Polarizabilities. J. Chem. Soc. Chem. Comm., 611. (374) Dewar, M.J.S. & Kirschner, S. 1974 MINDO/3 Study of the Thermal Conversion of Cyclobutene to 1,3- Butadiene. J.A.C.S 96, 6809. (375) Dewar, M.J.S., Suck, S.H. & Weincr, P.K. 1974 Study of the Electronic Energy Band Structure of Polyethylene Using MINDO/3. Chem Phys. Lett. 29, 220. {376) Dewar, M.J.S. & Kirschner, S. 1974 MINDO/3 Study of the Thermolysis of Dioxetane. Role of the Triplet State. J.A.C.S. 96, 7578. (377) Dewar, M.J.S., Kirschner, S & Kollmar, W. 1974 Cryptochemiluminescence in the Rearrangments of Dewar Benzencs. The Requirements for Pericyclic Reactions to be Chemiluminescent. J.A.C.S. 96, 7579. (378) Case, R.S., Dewar, M.J.S., Kirschner, S., Pettit, R & Slegeir, W. 1974 Possible Intervention of Triplet States in Thermal Reactions of Hydrocarbons. A Study of the Rearrangements of Cyclobutadiene Dimers and Analogous Compounds. J.A.C.S. 96, 7581. (379) Bischof, P.K., Dewar, M.J.S., Goodman, D.W. & Jones, T.B. 1974 Photoelectron Spectra of Molecules VI. Hyperconjugation versus p_-d_ Bonding in Group IVb Compounds. 1. Organometal. Chem. 82, 89. (38()) Dewar, M.J.S., Kollmar, H.W. & Suck, S.H. 1975 Vertical Ionization Potentials of Radicals by the MINDO/3 Method. Theoret. Chirn. Acta 36, 237. (3 81) Dewar, M.J.S. 1975 Quantum Organic Chemistry. Science 187, 1037. (382) Dewar, M.J.S., Komornicki, A., Schwcig, A. & Thiel, W. 1975 Calculation of Photoionization Cross-Sections Using Ab Initio Wave Functions and the Plane Wave Approximation. Chem. Phys. Lett. 31, 286. (383) Bischotf P.K. & Dewar, M.J.S. 1975 MINDO/3 Study of Some Simple Carbocations. J.A.C.S. 97, 2278. (384) Bingham. C., Dewar, M.J.S. & Lo, D.H. 1975 Ground States of Molecules. XXV. MINDO/3. An Improved Semi-empirical SCF MO Method. J.A.C.S. 97, 1285. (385) Bingham, R.C., Dewar, M.J.S. & Lo, D.H. 1975 Ground States of Molecules. XXVI. MINDO/3 Calculations lor Hydrocarbons. J.A.C.S. 97, 1294. (386) Bingham, R.C., Dewar, M.J.S. & Lo, D.H., 1975 Ground States of Molecules. XXVII. MINDO/3 Calculations folr CHON Species. J.A.C.S. 97, 1302. (387) Bingham, R.C., Dewar, M.J.S. & Lo, D.H. 1975 Ground States of Molecules. XXVIII. MINDO/3 Calculations for Compounds Containing Carbon, Hydrogen, Fluorine, and Chlorine. J.A.C.S. 97, 1307. (388) Dewar, M.J.S. & Dougherty, R.C. 1975 The PMO Theory of Organic Chemistry. New York: Plenum Publ. Corp. (389) Dewar, M.J.S., Lo, D.H. & Ramsden, C.A. 1975 Ground States of Molecules. XXIX. MINDO/3 Calculations of Compounds Containing Third Row Elements. J.A.C.S. 97, 1311. (390) Adcock, W., Dewar, M.J.S., Golden. R & Zeb, M.A. 1975 Substituent Effects. XII. Substi-uent Effects by '9F NMR. J.A.C.S. 97, 2198. (391) Dewar, M.J.S. & Kirschner, S. 1975 MINDO/3 Study of the Thermolysis of Bicyclobutane. An "Allowed" and Stereoselcctive Reaction That is Not Concerted. J.A.C.S. 97, 2931. (392) Dewar, M.J.S. & Kirschner, S. 1975 The Conversion of Benzvalene to Benzene. J.A.C.S. 97, 2932. (393) Dewar, M.J.S. & Kolliner, H.W. 1975 MINDO/3 Study of Cylcobutadiene. J.A.C.S. 97, 2933. (394) Dewar, M.J.S. & Turchi, I.J. 1975 An Investigation of the Scope and Limitations of the Cornforth Rearrangement. J. Org. Chem. 40, 1521. (395) Dewar, M.J.S., Kollmar, H. & Li, W.K. 1975 Valence Angles and Hybridization Indices in "sp3 Hybridized" AX2Y. Systems. J. Chem. Educ. 52, 305. (396) Dewar, M.J.S. & Lo. D.H. 1975 MINDO/3 Calculations of ESCA Chemical Shifts. Chem. Phys. Lett. 33, 298. (397) Dewar, M.J.S. Computing Calculated Reactions. 1975 Chem. Brit. 11, 97. (398) Cowley, A.H., Dewar, M.J.S. & Goodman, D.W. 1975 Molecular Photoelectron Spectroscopic Studies of Some Trifluoromethyl- Substituted Phosphines and Chlorophosphines. J.A.C.S. 97, 3653. (399) Dewar, M.J.S. & Kirschner, S. 1975 MINDO/3 Study of the Thermal Isomerizations of Methyl- hicyclo 2, 1,0pent-2-ene and its I- and 2-Methyl Derivatives. J. Chem. Soc. Chem Comm., 461. (4(X)) Dewar. M.J.S. & Kirschner. S. 1975 MINDO/2' and MINDO/3 Studies of the Electrocyclic Conversion of Dewar Benzene into Benzene. J. Chem. Soc. Chem. Comm., 463. (401) Dewar. M.J.S. & Thiel, W 1975 Ground States of Molecules. XXX. MINDO/3 Study of Reactions of Singlet (_g) Oxygen with Carbon-Carbon Double Bonds. J.A.C.S. 97, 3978. (402) Dewar, M.J.S., Griffin, A.C.. Thiel, W. & Turchi, I.J. 1975 A Possible Mechanism for the Formation of Oxirancs in Reactions o' Singlet Molecular Oxygen with Olefins. J.A.C.S. 97. 4439.

Dewar 13

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (403) Turchi, I.J. & Dewar, MJ.S. 1975 The Chemistry of Oxazoles. Chem. Rev. 75, 0389. (404) Dewar, M.J.S., Haddon, R.C., Li, W-K., Thiel, W. & Weiner, P.K. 1975 Ground States of Molecules. XXXI. MINDO/3 Study of CH2, NH2, and 02 J.A.C.S. 97,4540. (405) Dewar, M.J.S., Kollmar, H.W. & Suck, S.H. 1975 MINDO/3 Study of 14N Nuclear Quadrupole Coupling Constants. J.A.C.S. 97, 5590. (4(6) Dcwar, M.J.S. & Riddle, R.M. 1975 Factors Influencing the Stabilities of Nematic Liquid Crystals. J.A.C.S. 97, 6658. (4(7) Dewar, M.J.S. & Griffin, A.C. 1975 A Thermodynamic Study of the Role of the Central Group on the Stability of Nematic Liquid Crystals. J.A.C.S. 97, 6662. (40)) Dewar, M.J.S.. Fonken, G.J., Kirschner, S. & Minter, D.E. 1975 Mechanism of the Vinylcyclopropane Rearrangement. The Rearrangement of Cyclopropylallene and MINDO/3 Calculations. J.A.C.S. 97, 6750. (409) Dewar, M.J.S. 1975 Quantum Organic Chemistry: An Alternative View. Science 190, 591. (410)) Dewar, M.J.S. 1975 MO Studies of Some Nonbenzenoid Aromatic Systems. Pure Appl. Chem. 44,767. (411) Bodor, N., Dewar, M.J.S. & Maksic, Z.B. 1976 A Study of the Interactions between the Double Bonds in Unsaturated Ketones. Croat. Chem. Acta 48, 9. (412) Bergman, J.G., Dewar, M.J.S.. Suck. S.H. & Weiner, P.K. 1976 MINDO/3 Calculations of Hyperpolarizabilities of Fluoromethanes. Chem. Phys. Lett. 38, 226. (413) Bergman, J.G., Dewar, M.J.S., Suck. S.H. & Weiner, P.K. 1976 Calculation of Nonlinear Optical Coefficients for Lithium Formate Monohydrate, Using MINDO/3. Chem. Phys. Lett. 38, 228. (414) Dewar, M.J.S. & Turchi, I.J. 1976 Ground States of Molecules. XXXII. A MINDO/3 Study of Mesoionic Oxazoles and lmidazoles. J. Chem. Soc. Perkin Trans. 11., 548. (415) Dewar, M.J.S. & Griffin, A.C. 1976 Ester Linkages in the Nematic Phase: A Thermodynamic Study. J. Chem. Soc. Perkin Trans. II., 710. (416) Dewar, M.J.S. & Griffin, A.C. 1976 Terminal Groups in the Nematic and Cholesteric Phases: a Thermodynamic Study. J. Chem. Soc. Perkin Trans. II, 713. (417) Dewar, M.J.S., Fonken. G.J.. Jones, T.B. & Minter, D.E. 1976 Photoelectron Spectra of Molecules. Part VII. Cyclopropylallenes. J. Chem. Soc. Perkin Trans. II . 764. (418) Cone, C., Dewar, M.J.S. and Landman, D. 1977 Gaseous Ions. I. MINDO/3 Study of the Rearrangement of Benzyl Cation to Tropylium. J.A.C.S. 99, 372. (419) Dewar, M.J.S. , Haddon, R.C.. Komornicki, A. & Rzepa, H.S. 1977 Ground States of Molecules. 34. MINDO/3 Calculations for Nonclassical Ions. J.A.C.S. 99, 377. (420) Dewar, M.J.S. & Ford, G. 1977 Ground States of Molecules. 37. MINDO/3 Calculations of Molecular Vibration Frequencies. J.A.C.S. 99. 1685. i421 ) Dewar, M.J.S. & Brown, S.B. 1977 C-Alkylation of 1,5 Naphthyridine Derivatives by Methyl Iodide. J. Chem. Soc. Chem. Comm., 87. (422) Dewar. M.J.S. & Thiel, W. 1977 MINDO/3 Study of the Addition of Singlet Oxygen (_gO2) to 1,3 Butadiene. J.A.C.S. 99, 2338. (423) Dewar, M.J.S. & Landman, D. 1977 Gaseous Ions. 2. MINDO/3 Study of the Rearrangements of Toluene and Cycloheptatriene Molecular Ions and the Formation of Tropylium. J.A.C.S. 99, 2446. (424) Dewar, M.J.S., Olivella. S. & Rzepa.H. 1977 MNDO Study of Ozone and its Decomposition into (020). Chem. Phys. Letts. 47, 80. (425 ) Dewar, M.J.S. & Turchi, 1. 1977 Ground States of Molecules. Part 35. MINDO/3 Study of the Cornforth Rearrangement. J. Chem. Soc. Perkin Trans. II, 724. (426) Dewar, M.J.S.. Landman, D. Suck, S.H. & Weiner, P.K. 1977 Ground States of Molecules. 33. MINDO/3 Calculations of NMR Coupling Constants. J.A.C.S. 99, 3951. (427) Dewar, M.J.S. & Wade Jr., L.E. 1977 A Study of the Mechanism of the Cope Rearrangement. J.A.C.S. 99, 4417. (428) Dewar, M.J.S. & Landman, D. 1977 Gaseous Ions. 3. MINDO/3 Calculations for the Rearrangement of Substituted Benzyl Cations. J.A.C.S. 99, 4633. (429) Dewar, M.J.S. & Thiel, W. 1977 Ground States of Molecules. 38. The MNDO Method. Approximations and Parameters. J.A.C.S. 99, 4899. (430) Dewar, M.J.S. & Thiel. W. 1977 Ground States of Molecules. 39. MNDO Results for Molecules Containing Hydrogen. Carbon. Nitrogen. and Oxygen. J.A.C.S. 99, 4907. 43 1) Dewar, M.J.S., Ford, G.P.. McKee. M.L., Rzepa, H.S. & Wade, L.E. 1977 The Cope Rearrangement. MINDO/3 Studies of the Rearrangements of 1,5 Hexadiene and Bicyclo-[2,2,0]hexane. J.A.C.S. 99, 5069. (432) Dewar, M.J.S. & McKee. M.L. 1977 Ground States of Molecules. 41. MNDO Results for Molecules Containing Boron. J.A.C.S. 99, 5231. (433) Dewar, M.J.S. 1977 Studies of the Mechanisms of Some Organic Reactions and Photoreactions by Semi- empirical SCF MO Methods. Faraday Discussions of the Chemical Society, 62. (434) Dewar, M.J.S. & Rzepa. H.S. 1977 Ground States of Molecules. 42. Vibrational Frequencies of Isotopically Substituted Molecules Calculated Using MINDO/3 Force Constants. J. of Molecular Structure 40, 145.

Dewar 14

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (435) Dcwar, M.J.S. & Ford, G.P. 1977 Bisdehydropyridines: MNDO 'olecular Orbital Calculations. J. Chem. Soc. Chem. Comm. 15, 539. (436) Dewar, M.J.S., Yamaguchi. Y. & Suck, S.H. 1977 Calculation of the Vibrational Frequencies of Polyethylene and Polyethylene-d4 by the MNDO Semi-empirical SCF Method. Chem. Phys. Letts. 50, 175. (437) Dewar, M.J.S., Yamaguchi, Y. & Suck, S.' 977 A MNDO Study of the Electronic Band Structure of Polyethylene. Chem Phys. Letts. 50, 259. (438) Dewar, M.JS. & Komornicki, A. 1977 Grouna itates of Molecules. 36. The Cyclobutadiene Problem and MINDO/3 Calculations of Moleuular Vibration Frequencies. J.A.C.S. 99, 6174. (439) Dewar, M.J.S. & Landman, D. 1977 Ground States of Molecules. 43. A MINDO/3 Study of the Rearrangement of Phenylcarhene to Cycloheptatrienacarbene. J.A.C.S. 99, 6179. (44() Dewar, M.J.S., Ford, G. & Rzepa, H. 1977 An MNDO Study of the Structures, Vibrational Frequencies, and lonization Energies of the First Five Poly-yn.s. Chem. Phys. Lett. 50, 262. (441) Dcwar, M.J.S. & Rzepa, H.S. 1977 Gaseous Ions. IV. MINDO/3 Calculations for Some Simple Organic Cations and for Their Hydrogen Elimination Reactions. J.A.C.S. 99, 7432. (442) Dewar, M.J.S. & Landman, D. 1977 Gaseous Ions. V. Calculated (MINDO/3) Properties of Monosubstituted Tropylium Ions and Benzyl Cations. J.A.C.S. 99, 7439. (443) Dewar, M.J.S. & Ford, G. 1977 The Thermal Decarboxylation of But-3-eonic Acid: MINDO/3 Calculations of Activation Parameters and Primary Kinetic Isotope Effects. J.A.C.S. 99, 8343. (444) Dewar, M.J.S. & Ford, G. 1977 Ground States of Molecules. 44. MINDO/3 Calculations of Absolute Heat Capacities and Entropies of Molecules without Internal Rotations. J.A.C.S. 99, 7822. (445) Dewar, M.J.S. & Thiel, W. 1977 A Semi-empirical Model for the Two-Center Repulsion Integrals in the NDDO Approximation. Theo. Chim. Acta 46, 89. (446) Swanson, B.I., Rafalko. J.J., Rzepa, H.S. & Dewar, M.J.S. 1977 Dissociative Pathways and Molecular Vibrations: Compliance Constants and Minimum Energy Coordinates for BF; and S03. J.A.C.S. 99, 7829. (447) Dewar, M.J.S., Ford, G.P. & Rzepa, H.S. 1977 Electrocyclic Ring Opening of I* . .* and 1* ,4 - Bicyclol2,2,0]hexa-2,5-dienes (cis and trans Dewar Benzenes): MNDO Semi-empirical Molecular Orbital Calculations. J. Chem. Soc. Chem. Comm., 728. (448) Dewar, M.J.S. & Rzepa, H.S. 1978 Ground States of Molecules. 40. MNDO Results for Molecules Containing Fluorine. J.A.C.S. 100, 58. (449) Dewar, M.J.S. 1978 Some Recent Developments in Quantum Organic Chemistry. Further Perspectives in Organic Chemistry, Ciba Foundation Symposium 53. (45() Dewar, M.J.S., Ford, G., McKee, M., Rzepa, H., Thiel, W. & Yamaguchi, Y. 1978 Semi-empirical Calculations of Molecular Vibrational Frequencies: the MNDO Method. (451) J. Mol. Struct. Vol. 43, 135. (452) Arnold, T.H., Dewar, M.J.S., Ralfalko, J.J., Rzepa, H.S., Swanson, B.I. & Yamaguchi, Y. 1978 Molecular Orbital Constraint of Interaction Coordinates, MOCIC: an Approximate Quadratic Potential Function. J.A.C.S. 100, 771. (453) Dewar, M.J.S. & Rzepa, H. 1978 Ground States of Molecules. 45. MNDO Results for Molecules Containing Beryllium. J.A.C.S. 100, 777. (454) Dewar, M.J.S. & Rzepa, H. 1978 Calculations of Electron Affinities Using t'- MNDO Semi-empirical SCF MO Method. J.A.C.S. 100, 784. (455) Dewar. M.J.S., Ford, G.P., Ritchie, J.P. & Rzepa, H.S. 1978 The Electrocyclic Ring Opening of 1- and 2- Azabicyclo[2,2,0]hex-2,5-dienes: MNDO Molecular Orbital Calculations. J. Chem. Res. (S) 26, (M) 0484- 0491. (456) Harlow, R.L., Brown, S.B., Dewar, M.J.S. & Simonsen, S.H. 1978 The Crystal and Molecular Structure of 2- Phenyl-4,5-dianilino-2H- 1,2,3- triazole: Correlation between the Asymmetry of the Triazole Ring and the Conformations of the Anilino Substituents. Acta Cryst. B33, 3423-3428. (457) Dewar, M.J.S. & Brown, B. Centrosymmetric 1.5-Naphthyridine Derivatives: Synthesis, Tautomerism, and Thermal Rearrangements. J. Org. Chem. Vol.43 No.7, 1331-1337. (458) Dewar, M.J.S. & McKee, M.L. 1978 Ground States of Molecules. 46. MNDO Study of Hydroboration of Alkenes and Alkynes. Inorg. Chem. 17, 1075. (459) Cowley, A.H., Dewar. M.J.S., Lattman, M., Mills, J.L. & McKee, M.L. 1978 An Ultraviolet Photoelectron Spectroscopic-Molecular Orbital Study of Some Cyclopolyphosphines. J.A.C.S. 100, 3349. (460) Dewar, M.J.S., Rzepa, H.S. & McKee, M.L. 1978 MNDO Parameters for Third Period Elements. J.A.C.S. 100, 3607. (461) Dewar, M.J.S. & McKee, M.L. 1978 Ground States of Molecules. 47. MNDO Studies of Boron Hydrides and Boron Hydride Anions. Inorg. Chem. 17, 1569. (462) Dewar, M.J.S. & Doubleday, C. 1978 A MINDO/3 Study of the Norrish Type Reaction of Butanal. J.A.C.S. 100, 4935. (463) Dewar, M J.S. & Olivella, S. 1978 Ground States of Molecules. 48. MINDO/3 Study of Some Radical A'ddition Reactions. J.A.C.S. 100, 5290.

Dewar 15

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (464) Dewar, M.J.S., Olivella, S. & Rzepa, H. 1978 Ground States of Molecules. 49. MINDO/3 Study of the Petro- Diels-Alder Reaction of Cyclohexene. J.A.C.S. 100, 5650. (465) Klopman, G., Andreozzi, P., Hopfinger, A.J., Kikuchi, O. & Dewar, M.J.S. 1978 Hydrogen Bonding in the MINDO/3 Approximation. J.A.C.S. 100, 6267. (466) Dewar, M.J.S. & Yamaguchi, Y. 1978 Analytical First Derivatives of the Energy in MNDO. Computers and Chemistry Vol. 2, 25. (467) Dewar, M.J.S. & Weiner, P.K. 1978 A Simplified Extrapolation Procedure for SCF Calculations. Computers and Chemistry Vol 2, 31. (468) Dewar, M.J.S. & McKee, M.L. 1978 Ground States of Molecules. 50. MNDO Study of Hydroboration and Borohydride Reduction. Inplications Concerning Cyclic Conjugation and Pericyclic Reactions. J.A.C.S. 100, 7499. (469) Brown, S.B., Dewar, M.J.S., Ford, G.P., Nelson, D.J. & Rzepa, H.S. 1978 Ground States of Molecules. 51. MNDO Calculations of Kinetic Isotope Effects. J.A.C.S. 100, 7832. (470) Dewar, M.J.S., Yamaguchi, Y. & Suck, S.H. 1978 MNDO Calculations of Molecular Electric Polarizabilities, Hyperpolarizabilities, and Nonlinear Optical Coefficients. Chem. Phys. Lett. 59, 541. (471) Dewar, M.J.S., Ford, G.P. & Rzepa, H.S. 1979 MNDO Study of Transient Species. The IR Spectrum of Benzyne. J. Mol. Struct. 51, 275. (472) Dewar, M.J.S. & Ford, G.P. 1979 Detailed Potential Energy Surfaces from MNDO Semiempirical Molecular Orbital Theory. Part 1. The Interconversion of the 2-Fllloroethyl and Ethylene Fluoronium Ions. J. Mol. Struct. 51, 281. (473) Dewar, M.J.S. & Ford, G. 1979 Relationship between Olefinic Pi Complexes and Three- Membered Rings. J.A.C.S. 101, 783. (474) Dewar, M.J.S. & Brown, S.B. 1979 Thermal and Electrical Properties of Transition Metal Complexes and Coordination Polymers of Pyrazine. Inorganica Chimica Acta 34, No.2, 221. (475) Dewar, M.J.S. & Rzepa, H.S. 1979 Ground States of Molecules. 52. A MNDO SCF MO Study of the Coordination of Beryllium and -Fluorenyl Complexes. Inorg. Chem. 18, 602. (476) Dewar, M.J.S. & Olivella, S. 1979 MINDO/3 Comparison of the Generalized SCF Coupling Operator and "Half-Electron" Methods for Calculating the Energies and Geometries of Open-Shell Systems. J.Chem. Soc. Faraday Trans. II, 829. (477) Dewar, M.J.S. & Olivella, S. 1979 Ground States of Molecules. 55. MINDO/3 Study of Rearrangements of C4H7 Radicals. J.A.C.S. 101, 4958. (478) Dewar, M.J.S., Yamaguchi, Y., Doraiswamy, S., Sharma, S.D. & Suck, S.H. 1979 Structures and Properties of Fluorinated Pyridines: Assignment of the Two Homo's of Pyridine. Chem. Physics 41, 21. (479) Dewar, M.J.S. & Ford, G.P. 1979 An Addendum to a Recent Paper by Halgren, Lipscomb, and Their Co- Workers Concerning the Relative Accuracies of Several Current MO Methods. J.A.C.S. 101, 5558. (480) Dewar, M.J.S., Yamaguchi, Y. & Suck, S.H. 1979 MO Studies of Polymers. Use of MNDO to Calculate Geometries, Vibrational Frequencies, etc. Chem. Physics 43, 145. (481) Nelson, D., Dewar, M.J.S., Buscheck, J.M. & McCarthy, E. 1979 Effect of a Mercuric Sulfate Precolumn on Chloro Olefin Abstraction. J. Org. Chem. 44, 4109. (482) Dewar, M.J.S. & Brown, S.B. 1980 Thermal and Electrical Properties of Organometallic Coordination Polymers Based on Centrosymmetric 1,5-Naphthyridine Derivatives. J. Inorg. and Nuclear Chem. 42, 140. (483) Dewar, M.J.S., Fox, M.A. & Nelson, D.J. 1980 A MNDO Study of the Structures and Stabilities of Some Substituted Pentadienyl Anions. J. Organometallic Chem. 185, 157. (484) Dewar, M.J.S. 1980 Sigma Conjugation and Sigma Aromaticity. Bull. Soc. Chim. Belg. 88,957. (485) Dewar, M.J.S. & McKee, M.L. 1980 Aspects of Cyclic Conjugation. Pure and Applied Chem. 52, No. 6, 1431. (486) Dewar, M.J.S. & McKee, M.L. 1980 Ground States of Molecules. 54. MNDO Study of Carboranes. Inorganic Chem. 19, 2662. (487) Dewar, M.J.S. & Davidc, D.E. 1980 Ultraviolet Photoelectron Spectrum of the Phenoxy Radical. J.A.C.S. 102, 7387. (48X) Dewar, M.J.S. & McKee, M.L. 1980 Ground States of Molecules. 57. Vibration Frequencies of Boron- Containing Molecules (1). J. of Mol. Struct. 68, 105. (489) Dewar, M.J.S., Nelson, D.J., Shcvlin, P.B. & Biesiada, K.A. 1981 An Experimental and Theoretical Investigation of the Mechanism of Deoxygenation of Carbonyl Compounds by Atomic Carbon. J.A.C.S. 103, 2802. (490) Dewar, M.J.S., Cabelli, D.E. & Cowley, A.H. 1981 UPE Studies of Conjugation Involving Group 5A Elements. 1. Phenylphosphines. J.A.C.S. 103, 3286. (491) Dewar, M.J.S., Cabelli, D.E. & Cowley, A.H. 1981 UPE Studies of Conjugation Involving Group 5A Elements. 2. Substituted tert-Butylacetylenes. J.A.C.S. 103, 3290. (492) Dewar, M.J.S., Carrion, F. Kollmar, H. & Bingham, R. 1981 Ground States of Molecules. 58. The C4H4 Potential Surface. J.A.C.S. 103, 5292.

Dewar 16

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (493) Davis, L.P., Guidry, R.M., Williams, J.R. & Dewar, M.J.S. 1981 MNDO Calculations for Compounds Containing Aluminium and Boron. J. of Comp. Chem. II No.4 (Winter), 443. (494) Dewar, M.J.S. 1982 Ionization Energies of p-Quinodimethane and 2,5-Dimethyl-p-quinodimethane J.A.C.S. 104, 1447. (495) Dewar, M.J.S., Pakiari, A.H. & Pierini, A.B. 1982 Isomeric Sigma and Pi Radicals from Carboxylic Acids and Amides. J.A.C.S. 104, 3242. (496) Dewar, M.J.S. & Reynolds, C.H. 1982 Tritium Migration in Tritiated Anisole. J.A.C.S. 104, 3244. (497) Dewar, M.J.S. & Nelson, D.J. 1982 Ground States of Molecules. 60. A MNDO Study of Conformations of Crotyl Anion and a Diaza Analogue, of Their BeH Derivativies and of the Interconversion of Cyclopropyl Anion and Allyl Anion. J. Org. Chem. 47, 2614. (498) Dewar, M.J.S. & Healy, E. 1982 Why Life Exists. Organomet. 1, 1705. (499) Dewar, M.J.S. & McKee, M.L. 1983 Ground States of Molecules. 56. MNDO Calculations for Molecules Containing Sulfur. J. Comp. Chem. Vol.4 No.1, 84. (500) Dewar, M.J.S. & Rzepa, H.S. 1983 Ground States of Molecules. 53. MNDOdCalculations for Molecules Containing Chlorine. J. Comp. Chem. Vol.4 No.2, 158. (501) Dewar, M.J.S., Ford, G.P. & Reynolds, C.H. 1983 Ground States of Molecules. 61. Relative Stabilities of o-, m, and p Benzyne. J.A.C.S. 105, 3162. (502) Dewar, M.J.S. 1983 Development and Status of MINDO/3 and MNDO. J, Mol. Struc. 100, 41. (503) Dewar, M.J.S. & Chantranupong, L. 1983 Ground States of Molecules. 62. MINDO/3 and MNDO Studies of Some Cheletropic Reactions. J.A.C.S. 105, 7152. (504) Dewar, M.J.S. & Chantranupong, L. 1983 Ground States of Molecules. 63. Reverse Cheletropic Reactions in Polycyclic Systems. J.A.C.S. 105, 7161. (505) Dewar, M.J.S. & Healy, E. 1983 Ground States of Molecules. 64. MNDO Calculations for Compounds Containing Bromine. J. Comp. Chem. 4, 542. (506) Dewar, M.J.S. & Pierini, A.B. 1984 Mechanism of the Diels-Alder Reaction. Studies of the Addition of Maleic Anhydride to Furan and Methylfurans. J.A.C.S. 106, 203. (507) Dewar, M.J.S. 1984 Multibond Reactions Cannot Normally be Synchronous. J.A.C.S. 106, 209. (508) Dewar, M.J.S. 1984 Chemical Implications of Sigma Conjugation. J.A.C.S. 106, 669. (509) Dewar, M.J.S. & Reynolds, C.H. 1984 Pi-Complexes as Intermediates in Reactions. Biomimetic Cyclization. J.A.C.S. 106, 1744. (510) Dewar, M.J.S., Healy, E.F. & Stewart, J.J.P. 1984 Location of Transition States in Reaction Mechanisms. J. Chem. Soc. Faraday Trans. 2. 80, 227. (511) Dewar, M.J.S. & Carrion, F. 1984 MNDO Study of SN2 Reactions and Related Processes. J.A.C.S. 106, 3531. (512) Dewar, M.J.S., Merz Jr., K.M. & Stewart, J.J.P. 1984 Tunnelling Dynamics of Cyclobutadiene. J.A.C.S. 106, 4040. (513) Dewar, M.J.S., Healy, E.F. & Stewart, J.J.P. 1984 Ground States of Molecules. 67. MNDO Calculations for Compounds Containing Iodine. J. Comp. Chem. 5, 4, 358. (514) Dewar, M.J.S. & Kuhn, D.R. 1984 MNDO Studies of Didehydrodiazines. J.A.C.S. 106,5256. (515) Dewar, M.J.S. & Holloway, M.K. 1984 [3], [4], and [5] Pericyclyne: Through-bond vs. Through-space Interactions. J. Chem. Soc. Chem. Comm. 17, 1188. (516) Dewar, M.J.S., Fox, M.A., Campbell, K.A., Chen, C-C., Friedheim, J.E., Holloway, M.K., Kim, S.C., Liescheski, P.B., Pakiari, A.M., Tien, T-P. & Zoebisch, E.G. 1984 Calculation of Energies of Excited States Using MNDO. J. Comp. Chem. 5, 5,480. (517) Dewar, M.J.S. & Reynolds, C.H. 1984 The C4H7 Potential Surface. J.A.C.S. 106, 6388. (518) Dewar, M.J.S. & Holloway, M.K. 1984 The C6R62+(Benzene Dication) System. J.A.C.S. 106, 6619. (519) Dewar, M.J.S., Grady, G.L. & Stewart, J.J.P. 1984 MNDO Calculations for Compounds Containing Tin. J.A.C.S. 106, 6771. (520) Dewar, M.J.S., Grady. G.L., Kuhn, D.R. & Merz Jr., K.M. 1984 Aspects of Organotin Chemistry. J.A.C.S. 106, 6773. (521) Dewar, M.J.S. & Stewart, J.J.P. 1984 A New Procedure for Calculating Molecular Polarizabilities; Applications Using MNDO. Chem. Phys. Lett. 111, 416. (522) Dewar, M.J.S. & Healy, E.F. 1984 MNDO Study of the Claisen Rearrangement. J.A.C.S. 106, 7127. (523) Dewar, M.J.S. & Storch, D. 1985 Can Desolvation of an Ion be the Ratedetermining Step in a Reaction? J. Chem. Soc. Chem. Comm. 2, 94. (524) Dewar, M.J.S., Merz Jr., K.M. & Stewart, J.J.P. 1985 Vibrationally Assisted Tunnelling (VAT) in a 1,5 Hydrogen Shift? J. Chem. Soc. Chem. Comm. 3, 166. (525) Dewar, M.J.S. & Olivella, S. 1985 MNDO Study of Ring Opening in the Succinimidyl Radical. J. Chem. Soc. Chem. Comm. 5, 301. (526) Dewar, M.J.S. & Merz Jr., K.M. 1985 Does Chair Cyclo-octatetraene Exist? J. Chem. Soc. Chem. Comm. 6, 343.

Dewar 17

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (527) Dewar, M.J.S., Ritchie, J. & Alster, J. 1985 Ground States of Molecules. 65. Thermolysis of Molecules Containing N02 Groups. J. Org. Chem. 50, 1031. (528) Dewar, M.J.S. & Storch, D.M. 1985 Alternative View of Enzyme Reactions. Proc. Nat. Acad. Sci. 82, 2225. (529) Dewar, M.J.S. 1985 Quantum Mechanical Molecular Models. J. Phys. Chem. 89, 2145. (530) Dewar, M.J.S. & Merz Jr., K.M. 1985 The MNDO Potential Energy Surface and Tunnelling Dynamics of the Cyclobutane Radical Cation. J. Mol. Struct. 122, 59. (531) Dewar, M.J.S. & Storch, D.M. 1985 Comparative Tests of Theoretical Procedures for Studying Chemical Reactions. J. Am. Chem. Soc. 107, 3898. (532) Dewar, M.J.S., Zoebisch, E.G., Healy, E.F. & Stewart, J.J.P. 1985 AM 1: A New General Purpose Quantum Mechanical Molecular Model. J. Am. Chem. Soc. 107, 3902. (533) Dewar, M.J.S., Grady, G.L. & Kuhn, D.R. 1985 A MNDO Study of Tin Radical Cations. Organometallics 4, 1041. (534) Dewar, M.J.S. & Grady, G.L. 1985 MNDO Study of 2,4,6-Trithia-1,3,5-Tristannaadamantane. Organometallics 4, 1327. (535) Dewar, M.J.S. & Tien, T-P. 1985 Photoelectron Spectrum of Benzyne. J. Chem. Soc. Chem. Comm. 18, 1243. (536) Dewar, M.J.S. & Merz Jr., K.M. 1985 On the Double Proton Shift in Azophenine. Theochem. 124, 183. (537) Dewar, M.J.S. & Merz Jr., K.M. 1985 Mechanisms of the Azulene to Naphthalene Rearrangement. J. Am. Chem. Soc. 107, 6111. (538) Dewar, M.J.S. & Merz Jr., K.M. 1985 MNDO Calculations for the Dehydrocyclooctatetraenes. J. Am. Chem. Soc. 107, 6175. (539) Dewar, M.J.S., Friedheim, J.E. & Grady, G.L. 1985 Stannylenes: An MNDO Investigation. Organometallics 4, 1784. (540) Dewar, M.J.S., Grady, G.L., Merz Jr., K.M. & Stewart, J.J.P. 1985 MNDO Calculations for Compounds Containing Mercury. Organometallics 4, 1964. (541) Dewar, M.J.S. & Merz Jr., K.M. 1985 Aspects of Organomercury Chemistry. Organometallics 4, 1967. (542) Dewar, M.J.S., Holloway, M.K., Grady. G.L. & Stewart, J.J.P. 1985 MNDO Calculations for Compounds Containing Lead. Organometallics 4, 1973. (543) Dewar, M.J.S. & Merz Jr., K.M. 1985 Potential Energy Surfaces and Tunnelling Dynamics of Some Jahn- Teller Active Molecules. J. Phys. Chem. 89, 4739. (544) Dewar, M.J.S. 1985 Structure of the 2-Norbornyl Cation. Accts. of Chem. Res. 18, 292. (545) Dewar, M.J.S., Healy, E.F. & Ruiz, J. 1986 Cruciaromaticity in Organometallic Compounds. Pure & Applied Chem.58 1, 67. (546) Dewar, M.J.S. & Kuhn, D.R. 1986 A MNDO Study of the Reaction of Tetramethylstannane with Bromine. J. Am. Chem. Soc. 108, 551. (547) Dewar, M.J.S., Friedheim, J., Grady, G.L., Healy, E.F. & Stewart, J.J.P. 1986 Revised MNDO Parameters for Silicon. Organometallics 5, 375. (548) Dewar, M.J.S. & Reynolds, C.H. 1986 A MINDO/3 Study of the Ethylene Dication. J. Mol. Struct. (Theochem) 136, 209. (549) Dewar, M.J.S. & Reynolds, C.H. 1986 An Improved Set of MNDO Parameters for Sulfur. J. Comp. Chem. 7, 140. (550) Dewar, M.J.S. & Merz Jr., K.M. 1986 MNDO Calculations for Compounds Containing Zinc. Organometallics 5, 1494. (551) Dewar, M.J.S. & Merz Jr., K.M. 1986 The CloH8 Potential Energy Surface: The Azulene-to-Naphthalene Rearrangement. J. Am. Chem. Soc. 108, 5142. (552) Dewar, M.J.S. & Merz Jr., K.M. 1986 Thermal Rearrangements of CIoH8 Species: Benzvalene Analogues and the Automerization of Naphthalene. J. Am. Chem. Soc. 108, 5146. (553) Dewar, M.J.S. & Merz Jr., K.M. 1986 Or. the Question of Heavy Atom Tunnelling in the 2-Norbornyl Cation.J. Am. Chem. Soc. 108, 5634. (554) Dewar, M.J.S., Olivella, S. & Stewart, J.J.P. 1986 Mechanism of the Diels-Alder Reaction; Reactions of Butadiene with Ethylene and Cyanoethylenes. J. Am. Chem. Soc. 108, 5771. (555) Dewar, M.J.S. 1986 New Ideas about Enzyme Reactions. Enzyme 36, 8. (556) Dewar, M.J.S. & Dieter, K.M. 1986 Evaluation of AMI Calculated Proton Affinities and Deprotonation Enthalpies. J. Am. Chem. Soc. 108, 8075. (557) Dewar, M.J.S., Grady, G.L. & Healy, E.F. 1987 MNDO Calculations for Compourts Containing Germanium. Organometallics 6, 186. (558) Dewar, M.J.S. & Ruiz, J.M. 1987 Mechanism of the Biosynthesis of Squalene from Farnesyl Pyrophosphate. Tetrahedron 43, 2661. (559) Dewar, M.J.S., Healy, E.F. & Ruiz, J.M. 1987 A High Level Ab Initio Study of Corner-Protonated Cyclopropane. J. Chem. Soc. Chem. Comm., 943. (560) Dewar, M.J.S. & Jie, C. 1987 AM! Calculations for Compounds Containing Silicon. Oreanometallics 6, 1486.

Dewar 18

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (561) b e-war, M.J.S. & O'Connor, BEM. 1987 Testing Ab Initio Procedures; the 6-31G* Model. C1ieM, Phys, L91j 138, 141. (562) Dewar, M.J.S., Gardiner Jr., W.C., Frenklach, NI. & Oref, 1. 1987 Rate Constant for Cycltzation/Decyclization oi' Phenyl Radical. ,1. Am. Qhem. Soc. 199, 4456. (563) Dewar, M.J.S. & Jie, C. 1987 Mechanism i ofthe Cope Rearrangement. J, Am. CJemi. Soc, 109, 5893. (564) Dewar, M.J.S. & Merz Jr., K.M. 1987 The Reformatskv Reaction. ,. A 47, 4eM, SQe, 109, 6553. (565) Caldwell, R.A., Misawa, H., Healy, E.F. & Dewar, M.J.S. 1987 An Unusually Large Secondary Deuterium Isotope Effect. Thermal Trais-Cis Isomerization of trans-I -Phenylcyclohexene. i, An Chen 5w, 109, 6869. (56-6( Dewar, M.J,S. & lie, C. 1987 Alternattive Transition States in the Cope Rearrangements of 1,5-Hexadiene. L Clhem. Soc. Chem. Comm. 19. 1451. (567) Dewar. M.J.S. & Healy. E. 1987 Ab Initio Study of the Chair Cope Rearrangement of 1,5-Hexadiene. ?hm. Phys. Lett. 141. 52 1. (568) Dewtar. M.i.S. 1987 A New Mechlanism foir Superconductivity. Angewandtq Chemje 26/12, 1273. (569) Dewar, M.J.S. 1987 Ein Neuer Mechlfanismnus fur Supralcitung in Oxidkerarniken. Angewandl CQhemie 99/12, 1313. (570)1 Dewar, M.JIS., Jie, C. & Zoebisch, E.G. 1988 AM I Calculations for Comipounds Containing Boron. Organometallics 7, 513. t571) Dewar, M.IJS. & Merz Jr., K.M. 1988 AM I Parameters for Zinc. Qrg4qoMetallicS 7, 522. (572) Dewar, M.J.S., Healy, E.F. & Ruiz, J.M. 1988 Mechanism of the 1,5-Sigmatropic Hydrogen Shift in 1,3- Pentadiceie. I. Amn. Chem. Soc. 110, 2666. (573) Dewar, M.J.S. & lie, C. 1988 An AM I Study of the Cope Rearrangements of Bulivalene, Barbaralane, Semnibullvalene, and Derivatives of Semnihullvalene. Tetrahedron 44, 135 1. (574) Dewar, M.I.S. & Dieter, K.M. 1988 Mechanism of the Chain Extension Step in the Biosynthesis of Fatty Acids. Biochemistry 27, 3 -32. '575) Dewar, M.J.S. & Zoebischi, E.G. 1988 Extension of AMI to the Halogens. J. Mol. Strurt. (Theochem) 180, 1. (576i) Dewar, M.I.S. 1988 Use of Quantum Mechanical Models in Studies of Reaction Mechanisms. Int. J, of Quantum Chem.; Quantum Chem. Symp. 22, 557. 577) Dewar, M.J.S. 1988 Localization and Delocalization. Mol. Struct. Energ., 1. (578) Dewar, M.J.S. & lie, C. 1989 Mechanism of the Claisen Rearrangement of Ally) Vinyl Ethers. J. Am. Chem. Soc. 111, 511. (579) Dewar, M.J.S. & Holder, A. 1989 Aromatic Energies of Sotne Heteroaromatic Molecules. Heterocycles 28, 2, 1135. (580) [cwiir. MIJ.S. & Dennington, R.D. 1989 DEWAR-PI Study of Electrophilic Substitution in Selected Polycvclic Fluoranthene Hydrocarbons. J. Am. Chem. Soc. ill, 3804. (581) De %, MIJ.S. & Jlie, C. 1989 Cope Rearrangement of 3,3-Dicyano- I,5-Hexadiene; Duality of Mechanism in Pericyclic Reactions. J. Chem. Soc. Cherrm. Comm., 98. (582) Dewar, MIJ.S. & Jie, C. 1989 AM) Parameters for Phosphorus. i. Mol. Struct. (Theochem) 187, 1. (583) Dewari, M.J.S. & lie, C. 1989 AM I Calculations for Compounds Containing Gelrmanium. Organometallics 8, 1544. (584) Dewar. M.J.S. lie, C. 1989 AM I Calculations for Compounds Containing Mercury. Organoretallics 8, 1547. (585) Dewar, M.J.S. & Holder, A.J. 1989 Is Triquinacene Homoaromatic? A Comnputational Study, J. Am. Chem. Soc.ll1, 5384. (586) Merz Jr., K.M., Hoffmann, R. & Dewar, M.J.S. 1989 Mode of Action of Carbonic Anhydrase. J. Am. Chem, Sic. 111, 5636. (587) Dcwar, M.JS. & Storch, D.M. 1989 Anionic Substitution at Carbonyl Carbon. Implications for the Chemistry of Ions in Solution. J. Chem. Soc. Perkin Trans. 2 7, 877. (588) Dewar, M.iJS. 1989 A Critique of Frontier Orbital Theory. Thieochem 59, 301. (589) Dewar, M.J.S., Holder, A.J., Healy, E.F. & Olivela, S. 1989 Comparison of Single Point Ab lnitio Energies Calculated Using 3-21G and AM I Geomctrics. I. Chem. Soc. Chem. Comm. 19, 1452. (590() Dewar, M.JIS. &. Holder, A.J. 1990) AM l Parameters for Aluminium. Organometallics 9(2), 508. (591) Dewar, M.J.S. & Yuan, Y.C. 1990 AM I Studies of E2 Reactions. 1. Mechanism and Leaving Group Effects. I. Am. Chem. Soc. 112(6), 2088. (592) Dewar, M.J.S. & Yuan, Y.C. 1 99(1 AM I Studies of E2 Reactions. 2. Regioselectivity, Stereochemistry, Kinetic Isotope Effects, and Competititon with 5N2 Reactions. J. Ami. Chem. Soc. 112(6), 2095. (503) Dewar, M.-JS. & Holder, A.J. 1990 On the Validity of' Polarization and Correlation Additivity in Ab Initio Molecular Orbital Calculations. J. Comp. Chem. 11(3), 311. (594) Dewar, M.I.S. & Liotard, D.A. 1990 An E1ficient Procedure for Calculating the Molecular Gradient, Using SCF-C7 Scmicmpirical Wavefunctions with a Limited Number of Configurations. Theochem 65(1.2), 123. (59.5) Dcwar. M. IS., Fealy. E.F., Holder, A.J. & r uan. Y.C. 1990 Comments on a Comparison of AM I with the Recently t)Dvcloped PM3 Mcthod. i. COImp. Chem. 11(4), 541.i

Dewar 19

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms (596) Dewar, M.J.S. & Dennington II, R.D. 1990 Modification of DEWAR-PI to Include Ring Strain. Int. J. Quantum Chem. 37(4), 589. (597) Dewar, M.J.S. & Krull, K.L. 1990 Acidity of Carboxylic Acids: Due to Delocalization or Induction? J. Chem Soc. Chem. Comm. 4, 333. (598) Dewar, M.J. & Yuan, Y.C. 1990 AM I Parameters for Sulfur. Inorg. Chem. 29(19), 3881. (5(9) Dewar, M.J.S. & Zheng, Y.J. 1990 Structure of the Oxalate. Thlochem 68, 157. (60X)) Dewar, M.J.S., Hwang, J.C. & Kuhn, D.R. 1991 An AMI Sudy of the Reactions of Ozone with Ethylene and 2-Butene. J. Am. Chem. Soc. 113(3), 735. (601) Dewar, M.J.S., Hcaly. E.F., Kuhn, D.R. & Holder, A.J. 1991 AMI Parameters for Tin. Organometallics 10(2), 431. (6t(2) Dewar, M.J.S. & Zheng, Y.J. 1991 A Theoretical Study of the HP4 Ion. Inorg. Chem. 30(17), 3361. (603) Dewar, M.J.S. 1991 AMPAC: A General Program for Chemical Calculations Using Procedures Developed by the Dewar Group. In Mod. Tech Comput. Chem.: MOTECC-91 (ed. E. Clementi), pp 455-67. Leiden, Neth.: ESCOM. (604) Dcwar, M.J.S. & Jie, C. 1992 Mechanisms of Pericyclic Reactions: The Role of Quantitative Theory in the Study of Reaction Mechanisms. Acc. Chem. Res. 25(11), 537. (605) Dewar, M.J.S. 1992 The Semiempirical Approach to Chemistry. Int. J. Quantum Mech. 44(4), 427. (606) Dewar, M.J.S. & Jie, C. 1993 Mechanisms of Pericyclic Reactions: The Role of quantitative Theory in the Study of Reaction Mechanisms. Acc. Chem. Res. 26(4), 226. (60(7) Dewar, M.J.S., Zoebisch, E.G., Hcaly, E.F. & Stewart, J.J.P. 1993 Development and Use of Quantum Mechanical Molecular Models. 76. AM 1: A New General Purpose Quantum Mechanical Molecular Model. J. Am. Chem. Soc. 115(12), 5348. (608) Dewar, M.J.S. 1993 The Semi-Ab Initio (SA) Approach to Chemistry. Org. Mass Spectrom. 28(4), 305. (609) Brewster, M.E., Huang, M.J., Pop, E., Pitha, J., Dewar, M.J.S., Kaminski, J.J. & Bodor, N. 1993 An AMI Molecular Orbital Study of .Alpha.-D- glucopyranose and .Beta.-maltose: Evaluation and Implications. Carbohydr. Res. 242, 53. (610) Berthier, G., Dewar, M.J.S., Fischer, H., Fukui, K., Hall, G.C., Hinzs, J., Jaffe,H., Jortner, J., et al. 1993 Research in Atomic Structure. Lect. Notes. Chem.,p 59. Berlin, Germany: Springer. (611) Dewar, M.J.S., Jie, C. & Yu, J. 1993 SAM I; The First of a New Series of General Purpose Quantum Mechanical Molecular Models. Tetrahedron 49(23), 5003. (612) Dewar, M.J.S., Jie, C. Yu, J. 1993 SAM I; The First of a New Series of General Purpose Quantum Mechanical Molecular Models. Tetrahedron 49(34), 7393. (613) Dewar, M.J.S., Gilbert, J.C. & Kirschner, S. 1994 Computation of an Orbital Isomer of Cyclobutyne. J. Chem. Soc. Chem. Comm. 9 1105.

Dewar 20

This content downloaded from 192.108.70.170 on Wed, 12 Oct 2016 12:23:53 UTC All use subject to http://about.jstor.org/terms