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Scientific Publications of Roald Hoffmann May 2006

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Scientific Publications of Roald Hoffmann May 2006 Scientific Publications of Roald Hoffmann May 2006 BOOKS 1. The Conservation of Orbital Symmetry, R. B. Woodward and R. Hoffmann, Verlag Chemie and Academic Press, Weinheim and New York, 1970. 2. Solids and Surfaces: A Chemist's View of Bonding in Extended Structures, R. Hoffmann, VCH, New York, 1988. Translated into Russian by A. L. Tchougreev, Mir, Moscow, 1990. Translated into Chinese by H.-Y. Guo and Jing Li, J. China Chemical Industry Press, 1995. Translated into Japanese by Hiroshi Kobayashi, Youkoh Kaizu, and Toshiaki Enoki , Maruzen, 1993. ARTICLES 1. Heats of Formation of Hexacalcium Dialumino Ferrite and Dicalcium Ferrite, E. S. Newman and R. Hoffmann, J. Res. NBS, 56, 313 (1956). 2. Efficient Low-Level Counting System for C11, J. B. Cumming and R. Hoffmann, Rev. Sci. Inst., 29, 1104 (1958). 3. Theory of Polyhedral Molecules. I. Physical Factorizations of the Secular Equation, R. Hoffmann and W. N. Lipscomb, J. Chem. Phys., 36, 2179 (1962). 4. Theory of Polyhedral Molecules. II. A Crystal Field Model, R. Hoffmann and M. P. Gouterman, J. Chem. Phys., 36, 2189 (1962). 5. Theory of Polyhedral Molecules. III. Population Analyses and Reactivities for the Carboranes, R. Hoffmann and W. N. Lipscomb, J. Chem. Phys., 36, 3489 (1962). 6. The Boron Hydrides; LCAO-MO and Resonance Studies, R. Hoffmann and W. N. Lipscomb, J.Chem. Phys., 37, 2872 (1962). 7. The Excited States of Helical Polymers (in Russian), R. Hoffmann, Vestn. Moskov. Univ. Ser. Fiz. Astr., 69, (1962). -2 -2 8. Sequential Substitution Reactions on B10H10 and B12H12 , R. Hoffmann and W. N. Lipscomb, J. Chem. Phys., 37, 520 (1963). 9. Excitons by Second Quantization, R. Hoffmann, Rad. Res., 20, 140 (1963). 10. Intramolecular Isomerization and Transformations in Carboranes and Substituted Boron Hydrides, R. Hoffmann and W. N. Lipscomb, Inor. Chem., 2, 231 (1963). 11. An Extended Hückel Theory. I. Hydrocarbons, R. Hoffmann, J. Chem Phys., 39, 1397 (1963). 12. Theoretical Investigation on Boron-Nitrogen Molecules, R. Hoffmann in Advances in Chemistry No. 42, American Chemical Society, Washington, p. 78 (1964). 13. Distribution of Electronic Levels in Alkanes, R. Hoffmann, J. Chem. Phys., 40, 2047 (1964). 1 14. Toward an Understanding of Nonclassical Carbonium Ions, R. Hoffmann, J. Amer. Chem. Soc., 86, 1259 (1964). 15. An Extended Hückel Theory. II. Sigma Orbitals in the Azines, R. Hoffmann, J.Chem. Phys., 40, 2745 (1964). 16. An Extended Hückel Theory. III. Compounds of Boron and Nitrogen, R. Hoffmann, J. Chem. Phys., 40, 2474 (1964). 17. An Extended Hückel Theory. IV. Carbonium Ions, R. Hoffmann, J. Chem. Phys., 40, 2480 (1964). 18. Stereochemistry of Electrocyclic Reactions, R. B. Woodward and R. Hoffmann, J. Amer. Chem. Soc., 87, 395 (1965). 19. Selection Rules for Concerted Cycloaddition Reactions, R. Hoffmann and R. B. Woodward, J. Amer. Chem. Soc., 87, 2046 (1965). 20. Selection Rules for Sigmatropic Reactions, R. B. Woodward and R. Hoffmann, J. Amer. Chem. Soc., 87, 2511 (1965). 21. Orbital Symmetries and Endo/Exo Relationships in Concerted Cycloaddition Reactions, R. Hoffmann and R. B. Woodward, J. Amer.Chem. Soc., 87, 4388 (1965). 22. Orbital Symmetries and Orientational Effects in a Sigmatropic Reaction, R. Hoffmann and R. B. Woodward, J. Amer. Chem. Soc., 87, 4389 (1965). 23. Some Theoretical Observations on Cyclopropane, R. Hoffmann, Tetrahedron Letters, 3819 (1965). 24. Extended Hückel Theory. V. Cumulenes, Polyenes, Polyacetylenes and Cn, R. Hoffmann, Tetrahedron, 22, 521 (1966). 25. Extended Hückel Theory. VI. Excited States and Photochemistry of Diazirines and Diazomethanes, R. Hoffmann, Tetrahedron, 22, 539 (1966). 26. The Dependence of Conformational and Isomer Stability on the Number of Electrons in Extended-Systems, R. Hoffmann and R.A.Olofson, J. Amer. Chem. Soc., 88, 943 (1966). 27. The Electronic Structure of Some Transition States and Intermediates in Organic Reactions, R. Hoffmann, Trans. N.Y. Acad. Sci., 28, 475 (1966). 28. The Spirarenes, R. Hoffmann, A. Imamura, G. D. Zeiss, J. Amer. Chem.Soc., 89, 5215 (1967). 29. The Conservation of Orbital Symmetry, R. Hoffmann and R. B. Woodward, Accounts of Chemical Research, 1, 17 (1968). 30. Trimethylene and the Addition of Methylene to Ethylene, R. Hoffmann, J. Amer. Chem. Soc., 90, 1475 (1968). 31. The Electronic Structure of Methylenes, R. Hoffmann, G. D. Zeiss and G. W. Van Dine, J. Amer. Chem. Soc., 90, l485 (1968). 32. Benzynes, Dehydroconjugated Molecules and the Interaction of Orbitals Separated by a Number of Intervening Sigma Bonds, R. Hoffmann, A. Imamura and W. J. Hehre, J. Amer. Chem. Soc., 90, 1499 (1968). 2 33. Hydrogen Bonding in Pyridine, W. Adam, A. Grimison, R. Hoffmann and C. Zuazaga de Ortiz, J. Amer. Chem. Soc., 90, 1509 (1968). 34. The Isocyanide-Cyanide and Isoelectronic Rearrangements, G. W. Van Dine and R. Hoffmann, J. Amer. Chem. Soc., 90, 3227 (1968). 35. The Stabilization of Centers with Six Valence Electrons Through Electron-Rich Three-Center Bonding, R. Gleiter and R. Hoffmann, Tetrahedron, 24, 5899 (1968). 36. The Electronic Structure and Torsional Potentials in Ground and Excited States of Biphenyl, Fulvalene and Related Compounds, A. Imamura and R. Hoffmann, J. Amer. Chem. Soc., 90, 5379 (1968). 37. On Stabilizing a Singlet Methylene, R. Gleiter and R. Hoffmann, J. Amer. Chem. Soc., 90, 5457 (1968). 38. Transition State for the Hydrogen-Iodine and the Hydrogen Exchange Reaction, R. Hoffmann, J. Chem. Phys., 49, 3739 (1968). 39. Symmetry Requirements for the Stabilization of One Class of Diradicals, R. Hoffmann, Chem. Commun., 240, (1969). 40. Formal Diradicals Which Should Have Singlet Ground States, R. Gleiter and R. Hoffmann, Angew. Chem., 81, 225 (1969). 41. A Quantum Mechanical Approach to the Conformational Analysis of Macro-molecules in Ground and Excited States, R. Hoffmann and A. Imamura, Biopolymers, 7, 207 (1969). 42. Hetaryne Intermediates, W. Adam, A. Grimison and R. Hoffmann, J. Amer. Chem. Soc., 91, 2590 (1969). 43. The Electronic Structure of Some Substituted Cyclobutadienes, M. Gheorghiu and R. Hoffmann, Rev. Roum. de Chimie, 14, 781 (1969). 44. The Electronic Ground States of Ortho, Meta and Para Benzynes, M. Gheorghiu and R. Hoffmann, Rev. Roum. de Chimie, 14, 947 (1969). 45. The Balance of Steric and Conjugative Effects in Phenyl-substituted Cations, Radicals and Anions, R. Hoffmann, R. Bissell and D. G. Farnum, J. Phys. Chem., 73, 1789 (1969). 46. The Conservation of Orbital Symmetry, R. B. Woodward and R. Hoffmann, Angew. Chem., 81, 797 (1969); Angew. Chem. Internat. Edit., 8, 781 (1969). Reprinted in book form by Verlag Chemie and Academic Press. 47. Ground and Excited State Geometries of Benzophenone, R. Hoffmann and J. R. Swenson, J. Phys. Chem., 74, 415 (1970). 48. Energy Parameters in Polypeptides. II. Semiempirical Molecular Orbital Calculations for Model Peptides, J. F. Yan, F. A. Momany, R.Hoffmann and H. A. Scheraga, J. Phys. Chem., 74, 420 (1970). 49. Orbital Symmetry Control of Chemical Reactions, R. Hoffmann and R. B. Woodward, Science, 167, 825 (1970). 50. Interaction of Nonconjugated Double Bonds, R. Hoffmann, E. Heilbronner and R. Gleiter, J. Amer. Chem. Soc., 92, 706 (1970). 51. Non-Least-Motion Potential Surfaces: the Dimerization of Methylenes and Nitroso Compounds, R. Hoffmann, R. Gleiter and F. B. Mallory, J. Amer. Chem. Soc., 92, 1460 (1970). 3 52. The Direct Calculation of Optical Rotatory Strengths, R. R. Gould and R. Hoffmann, J. Amer. Chem. Soc., 92, 1813 (1970). 53. The Interaction of Sulfur Atoms with Ethylene, R. Hoffmann, C. C. Wan and V. Neagu, Mol. Phys., 19, 113 (1970). 54. Bonding, Proton Transfer and Diradical Stabilization in Phosphonium Ylides, R. Hoffmann, D. B. Boyd and S. Z. Goldberg, J. Amer.Chem. Soc., 92 3929 (1970). 55. The Norcaradiene-Cycloheptatriene Equilibrium, R.Hoffmann, Tetrah. Let., 2907 (1970). 56. Planar Tetracoordinate Carbon, R. Hoffmann, R. W. Alder and C. F. Wilcox, Jr., J. Amer. Chem. Soc., 92, 2992 (1970). 57. The 2,3-Dimethylenetetramethylene Diradical, B. G. Odell, R. Hoffmann and A. Imamura, J. Amer. Chem. Soc. (B), 1675 (1970). 58. A Potential Surface for a Nonconcerted Reaction. Tetramethylene, R. Hoffmann, S. Swaminathan, B. G. Odell and R. Gleiter, J. Amer. Chem. Soc., 92, 7091 (1970). 59. The Interaction of Nonbonding Orbitals in Carbonyls, J. R. Swenson and R. Hoffmann, Helv. Chim. Acta, 53, 2331 (1970). 60. Geometry Changes in Excited States, R. Hoffmann, Pure and Appl. Chem., 24, 567 (1970). 61. Interaction of Orbitals Through Space and Through Bonds, R. Hoffmann, Accts. Chem. Res., 4, 1 (1971). 62. A Potential Surface for a Nonlinear Cheletropic Reaction. The Decarbonylation of Cyclopropane, D. M. Hayes, C. A. Zeiss and R. Hoffmann, J. Phys. Chem., 75, 340 (197l). 63. Structural Effects of 3d Orbitals in Alkylidene Phosphoranes, D. B. Boyd and R. Hoffmann, J. Amer. Chem. Soc., 93, 1064 (1971). 64. Chemical Reactivity of Molecules in their Excited States, R. Hoffmann in "Aspects de la Chimie Quantique Contemporaine", ed. R. Daudel and A. Pullman, CNRS, Paris, 1971. 65. The Valence Orbitals of Cyclobutane, R. Hoffmann and R. B. Davidson, J. Amer. Chem. Soc., 93, 5699 (1971). 66. A Potential Surface for the Insertion of Singlet Methylene into a C-H Bond, R. C. Dobson, D. Hayes and R. Hoffmann, J. Amer. Chem. Soc., 93, 6188 (197l). 67. Symmetry, Topology and Aromaticity, M. J. Goldstein and R. Hoffmann, J. Amer. Chem. Soc., 93, 6193 (197l). 68. Through Bond Interactions of Non-Bonding Orbitals: the n,π* States of Azanaphthalenes, A. D. Jordan, I. G. Ross, R. Hoffmann, J. R. Swenson and R. Gleiter, Chem. Phys. Lett., 10, 572 (1971). 69. The Chemical Consequences of Orbital Interaction Through Space and Through Bonds, R. Hoffmann and W.-D. Stohrer, Special Lectures at XXXIIIrd International Congress of Pure and Applied Chemistry, Vol. 1, p. 157, Butterworths, London, 1971. 70. Theory of the Structure and Reactivity of Small Rings, R. Hoffmann, Special Lectures at XXIIIrd International Congress of Pure and Applied Chemistry, Vol.
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