DOCSLIB.ORG

The Chemical Physics of Atomic and Molecular Clusters

Total Page：16

File Type：pdf, Size：1020Kb

Download full-text PDF Read full-text
The Chemical Physics of Atomic and Molecular Clusters ITALIAN PHYSICAL SOCIETY PROCEEDINGS OF THE INTERNATIONAL SCHOOL OF PHYSICS «ENRICO FERMI» COURSE CVII edited by G. SCOLES Director of the Course VARENNA ON LAKE COMO VILLA MONASTERO 28 June - 7 July 1988 The Chemical Physics of Atomic and Molecular Clusters 1990 NORTH-HOLLAND AMSTERDAM - OXFORD - NEW YORK - TOKYO INDICE G. SCOLES and S. STRINGARI - Preface pag. xvn Gruppo fotografico dei partecipanti al Corso fuori testo PART I. - THEORY R. S. BERRY - Structure and dynamics of Clusters: an introduction. 1. What are Clusters? pag. 3 2. Simulations and diagnostics » 8 21 » 8 2*2 T... » 15 R. S. BERRY - Structure and dynamics of Clusters: phase equilibrium and phase change. 1. Solid and liquid Clusters: their equilibrium » 23 ri » 25 1*2 » 27 2. Simulations » 32 2*1 » 32 2*2 » 37 3. The future » 39 J. JORTNER, D. SCHARF, N. BEN-HORIN, U. EVEN and U. LANDMAN - Size effects in Clusters. Prologue » 43 1. Energetic and thermodynamic size effects » 44 1' 1. Energetic size effects » 44 1*1.1. From molecules to Clusters » 44 1*1.2. From Cluster to bulk Condensed matter » 45 1*2. Isomerization and melting of Clusters » 50 1*3. Experimental interrogation of Cluster isomerization » 58 v VI INDICE 2. Dynamic size effects in electronically excited rare-gas Clusters pag. 64 2"1. Reactive and nonreactive relaxation » 64 2'2. Application of classical molecular-dynamics method » 67 2'3. Analysis of the molecular-dynamics data » 71 2'3.1. Size analysis » 71 2'3.2. Energetics » 72 2'3.3. Configurational relaxation » 72 2'3.4. Mass transport of electronic excitations » 73 2'4. Computational results » 73 2'4.1. Atomic-impurity excitations in Xe*Ar12 and Xe*Ar54 Clusters » 73 2'4.2. Excimer excitations in Xe|Arn and XefAr53 Clusters ... » 81 2'5. Discussion » 91 2'5.1. Dynamics of atomic-impurity excitations » 91 2'5.2. Dynamics of excimer excitations » 92 F. G. AMAR - A structural approach to the analysis of Cluster dynamics. PART I - Introduction » 99 PART II - Melting and isomerization of argon Clusters » 100 1. Background » 100 2. Melting loops » 101 3. Isomers of Ar7 » 103 4. Molecular dynamics and quenching » 104 5. Residence times » 107 6. Lifetime distributions » 111 7. Ar7 melting: summary » 113 PART III - Cooling and dynamic quenching of Ar13 » 113 1. Introduction » 113 2. Brownian dynamics » 114 3. Other quenching techniques » 115 4. Results » 115 5. Conclusions » 119 PART IV - Photodissociation dynamics of Br^ in (C02)TC and Ar„ Clusters » 119 1. Background » 119 2. A model for negative-ion photodissociation » 120 3. Variable-charge calculation » 123 4. Minimum-energy structures » 124 5. Photoexcitation dynamics of minimum-energy structures » 125 6. Thermal averages » 129 7. Caging fraction » 130 8. Discussion » 131 PART V - Summary » 132 INDICE VII R. J. LE ROY - Spectra, phase transitions and «dynamical isomeriza- tions» of mixed Van der Waals Clusters. 1. Introduction pag. 137 2. Methodology, potential-energy surface and equilibrium structures .... » 138 3. Simulating the Cluster spectra » 141 4. Dynamical simulations and phase change behaviour » 146 5. Spontaneously reversing isomerization of an isolated SF6-(Ar)9 Cluster » 150 6. Discussion and speculations » 154 W. ANDREONI - The Car-Parrinello method and its application to microclusters. 1. Introduction » 159 2. The Car-Parrinello method » 159 3. Computational procedure » 162 4. Some test examples » 164 5. Some results: structural and finite-7" properties » 167 6. Final remarks » 173 R. KAWAI, I. L. GARZÖN, X. P. LONG and J. H. WEARE - Simulation of metallic and impure van der Waals Clusters. Introduction » 177 1. Structural and dynamical properties of impure van der Waals Sys­ tems » 178 1" 1. Low-temperature structures » 180 11.1. The A1SB System » 180 1*1.2. The A55B System » 181 1*1.3. The A13B13 system » 182 1*2. The finite-temperature behavior » 182 1*2.1. Heating in the A12B, A1SB and A55ß Systems » 182 1*2.2. Heating in the A1SB13 System » 186 2. Car and Parrinello methods for metallic Clusters » 187 S. STRINGARI - Clusters of quantum liquids. 1. Introduction » 199 2. Bulk and surface properties of 4He and 3He » 200 2*1. Bulk properties » 200 2*2. Surface properties » 203 3. Ground-state properties of helium Clusters » 205 3' 1. The density functional approach » 205 3*2. Ground-state properties of 4He Clusters » 208 VIII INDICE 3'3. Ground-state properties of 3He Clusters pag. 212 3'4. 3He impurities on 4He Clusters » 219 4. Collective excitations in helium Clusters » 223 4' 1. Collective modes in 4He Clusters \ » 223 4' 1.1. Compression modes » 225 4'1.2. Surface excitations » 227 4'2. Collective modes in 3He Clusters » 227 4*2.1. Density excitations » 228 4'2.2. Magnetic excitations » 229 5. Conclusions » 233 X. CAMPI - Fragmentation of Clusters. 1. Introduction » 237 2. Survey of experimental data » 237 2'1. Fragmentation of nuclei » 237 2'2. Fragmentation of atomic Clusters » 244 3. Elements of Cluster fragmentation theory » 248 31. Partitions >» 248 3'2. Geometrical modeis » 250 3'3. Statistical equilibrium » 256 3"4. Rate equation theory » 257 4. Signals of scaling in Cluster fragmentation » 258 4'1. Critical behaviour and critical exponents » 259 4'2. Finite-size scaling » 265 Summary » 266 PART IL - SPECTROSCOPY AND PHOTODISSOCIATION R. 0. WATTS - Infrared spectroscopy of large Clusters. 1. Introduction » 271 2. Experimental methods » 272 3. Experimental results » 276 4. Vibrational-spectroscopy theory » 287 5. Semi-classical calculations of band shapes » 299 6. Quantum Simulation » 311 7. Summary » 326 D. J. LEVANDIER, M. MENGEL, J. MCCOMBIE and G. SCOLES - Infrared spectroscopy in and on argon Clusters: matrix and surface spectroscopy in the gas phase. 1. Introduction » 331 2. Experimental background » 332 INDICE IX 3. Clusters as microreactors: complex formation between CH3F and HCl in argon pag. 334 4. The surface of Clusters: a unique environment for spectroscopy and chemical dynamics » 338 5. Clusters and glasses » 345 6. Phase coexistence in Clusters: hot solids and cold liquids » 351 7. Clusters as microsolutions: will the would-be solute be admitted in or left on the surface? » 352 G. DELACRETAZ, P. FAYET, J. P. WOLF and L. WÖSTE - Spectroscopy, reactivity and photodynamics of size-selected metal Clusters. 1. Introduction » 359 2. Spectroscopic approaches to metal Clusters » 359 2' 1. Cluster beam sources for performing spectroscopy » 359 2'2. Eesonant two-photon ionization and depletion spectroscopy » 363 2'3. As an example: spectroscopy of Na3 » 372 2*3.1. The ground State of Na3 » 372 2'3.2. The 675 nm System (A-state) » 372 2'3.3. The510nmSystem(ß-state) » 373 2'3.4. The560nmSystem(ß'-state) » 374 2'3.5. The 475nm System (C-state) »> 375 2'3.6. The predissociated 420 nm System (D-at&te) » 376 3. Chemical reactions of metal Clusters » 378 3'1. Production of size-selected metal Cluster ions » 378 3'2. Experimental set-up » 381 3'3. Cluster-molecule reactions » 384 4. Photodynamics of metal Clusters » 389 M. MOSKOVITS - Size-dependent properties in small metal and semiconductor Clusters » 397 W. D. KNIGHT - Structures of metal Clusters. 1. Introduction » 413 2. Shell structure » 414 3. Experimental properties » 419 3'1. Abundance and stability » 419 3'2. Ionization potential » 420 3'3. Static electric polarizability » 422 3'4. Giant dipole resonance » 422 4. Conclusions and future directions » 424 1. X INDICE T. D. MARK, A. STAMATOVIC, F. HOWORKA, P. SCHEIER and G. WALDER - Interaction between visible laser light and expanding van der Waals Cluster beams. 1. Introduction pag. 427 2. Experimental technique » 428 3. Results » 429 4. Experimental tests » 440 4' 1. Laser power dependence » 440 4'2. Laser wavelength dependence » 443 4'3. Laser focus dependence » 443 4'4. Dependence on irradiation geometry » 444 4'5. Various further tests and observations » 444 5. Analysis (cross-section) and Interpretation (dissociation mechanism) .. » 445 D. RAY, N. E. LEVINGER and W. C. LINEBERGER - Spectroscopy and dynamics of «van der Waals» Cluster ions. 1. Introduction » 451 2. Discussion » 452 2' 1. Experimental method » 452 2'2. Optical absorption in «van der Waals» Cluster ions » 454 2'3. Photodissociation dynamics of «van der Waals» Cluster ions ..... » 457 2'4. Photochemistry in Cluster ions » 461 3. Conclusion » 463 S. T. ARNOLD, J. V. COE, J. G. EATON, C. B. FREIDHOFF, L. KIDDER, G. H. LEE, M. R. MANAA, K. M. MCHUGH, D. PATEL- MISRA, H. W. SARKAS, J. T. SNODGRASS and K. H. BOWEN - Photodetachment spectroscopy of negative Cluster ions. 1. Introduction » 467 2. Experimental » 469 3. Results and discussion » 470 3*1. Ion-molecule complexes: Cluster anions with localized excess negative charges » 470 3'2. More complicated cases: Cluster anions with excess Charge dispersal » 479 3'3. Alkali metal Cluster anions » 484 3'4. Water Cluster anions » 486 C. BRECHIGNAC and PH. CAHUZAC - Excitation of free metal Clusters. 1. Introduction » 491 2. Photoexcitation of alkali Cluster ions » 491 INDICE KI 2*1. Unimolecular dissoeiation following electronic excitation pag. 491 2'1.1. Experimental procedure » 493 2'1.2. Energetic of the unimolecular dissoeiation » 494 2'1.3. Dynamics ofthe unimolecular dissoeiation » 496 2'2. Photoinduced dissoeiation: a probe to follow electronic excitation » 500 3. Photoionization of metal Clusters » 502 3'1. Direct ionization » 503 3'1.1. Charge exchange between Na^" Cluster and Cs atoms: generation of neutral mass-selected Cluster beam » 503 3' 1.2. Photoionization of mass-selected neutral Clusters » 506 3'2. Autoionization process » 507 PART III. - MASS SPECTROSCOPY SCATTERING AND CHEMICAL PROP- ERTIES G. TORCHET, J. FARGES, M. F. DE FERAUDY and B. RAOULT - Electron diffraction studies of Clusters produced in a free jet expansion. 1. Introduction » 513 2. Experimental methods » 514 2' 1. Cluster beam » 514 2'2. Electron diffraction » 515 2'3.
Load more

Recommended publications
  • Electronic Supporting Information Combined X-Ray Crystallographic
    Electronic supporting information Combined X-Ray crystallographic, IR/Raman spectroscopic and periodic DFT investigations of new multicomponent crystalline forms of anthelmintic drugs: a case study of carbendazim maleate. Alexander P. Voronin a), Artem O. Surov a), Andrei V. Churakov b), O. D. Parashchuk c), Alexey A. Rykounov d), Mikhail V. Vener*e) a) G.A. Krestov Institute of Solution Chemistry of RAS, Ivanovo, Russia b) N.S. Kurnakov Institute of General and Inorganic Chemistry of RAS, Moscow, Russia c) Faculty of Physics, Lomonosov Moscow State University, Moscow, Russia d) FSUE "RFNC-VNIITF named after Academ. E.I. Zababakhin", Snezhinsk, Russia e) D. Mendeleev University of Chemical Technology, Moscow, Russia *Corresponding author: Mikhail V. Vener, e-mail: [email protected] Table of Contents: Section Page S1. Computational details S2-S4 Table S1 S4 Table S2 S4 Table S3 S5 Table S4 S6 Table S5 S7 Table S6 S7 Figure S1 S8 Figure S2 S8 Figure S3 S9 Figure S4 S10 Figure S5 S10 Figure S6 S11 Figure S7 S11 Figure S8 S12 Figure S9 S12 Figure S10 S13 Figure S11 S13 Figure S12 S14 References S15 S1 S1. Computational details S1.1 Periodic (solid-state) DFT calculations and lattice energy calculation Periodic DFT computations with all-electron Gaussian-type orbitals (GTO) were performed using Crystal17 [1]. The 6-31G** basis set was used. The tolerance on energy controlling the self-consistent field convergence for geometry optimizations and frequency computations was set to 10−10 and to 10−11 Hartree, respectively. The number of points in the numerical first- derivative calculation of the analytic nuclear gradients equals 2.
    [Show full text]
  • Chem 130L: Science of Cooking (NS) Syllabus, Summer Session 2, 2021
    Chem 130L: Science of Cooking (NS) Syllabus, Summer Session 2, 2021 (Soft) Prerequisite: CHEM99D or equivalent. Days and time: MW: 5:00-6:15pm; TTh: 7:00-8:15pm Location: • Monday & Wednesday: synchronous (or asynchronous) lecture. • Tuesday & Thursday: synchronous (or independent) lab. Instructor: Patrick Charbonneau Office hour: M 4:00-5:00pm (or by appointment), via Zoom. Chef: Todd Ohle Office/lab hours: TTh 30 mins before and after lab (or by appointment), via Zoom. Teaching assistant: TBA Course Description: Gastronomy is increasingly popular, and its main practitioners are stars. But Ferran Adrià, Joan Roca, and Grant Achatz share more than fame. They use science to create gastronomic art that challenges our culinary experience. Traditional techniques used to be followed blindly; they are now deconstructed to bring them to new heights. In this course we explore the science that lies behind the new frontier in taste. Main course objectives: ● Understand some of the science involved in cooking. ● Discover the tools and technologies used by world-leading chefs for their creation. Secondary objectives : ● Develop an interest in culinary creation. ● Educate one’s sense of taste. Students will handle (and taste) food, in order to consolidate the scientific learning. ANY FOOD ALLERGY MUST BE DECLARED ON THE FIRST DAY OF CLASS. Specialized cooking supplies and material will be mailed before the start of the semester. Standard cooking supplies (cream, flour, sugar, etc) and material (see list below) should be obtained on one’s own. Standard supplies and material should be available on time for the lab session, or earlier, when specified in the lab description.
    [Show full text]
  • Pathways to Modern Chemical Physics
    Pathways to Modern Chemical Physics Bearbeitet von Salvatore Califano 1. Auflage 2012. Buch. xii, 288 S. Hardcover ISBN 978 3 642 28179 2 Format (B x L): 15,5 x 23,5 cm Gewicht: 608 g Weitere Fachgebiete > Chemie, Biowissenschaften, Agrarwissenschaften > Physikalische Chemie schnell und portofrei erhältlich bei Die Online-Fachbuchhandlung beck-shop.de ist spezialisiert auf Fachbücher, insbesondere Recht, Steuern und Wirtschaft. Im Sortiment finden Sie alle Medien (Bücher, Zeitschriften, CDs, eBooks, etc.) aller Verlage. Ergänzt wird das Programm durch Services wie Neuerscheinungsdienst oder Zusammenstellungen von Büchern zu Sonderpreisen. Der Shop führt mehr als 8 Millionen Produkte. Preface This book originates from the suggestion made by several colleagues to extract certain sections from a two-volume book that I recently published in Italian with the Bollati-Boringhieri publishing house. The sections concerned deal with recent developments in chemical physics and the intention was to implement them with additional material in order to produce a book in English, explicitly dealing with the progress of chemical physics, in particular that realized in the last two centuries. As a professor of chemical physics, I felt encouraged to fill this gap by producing a book that could offer to new generations of chemistry students a testimony of the commitments, hopes, and dreams that my generation has experienced throughout this fascinating adventure. Although chemistry has its roots in alchemy, or even earlier in the old Sumerian, Babylonian, and Egyptian cultures, chemical physics became an independent discipline only in the second half of the eighteenth century. At this time the efforts of several scientists interested in developing the basic theoretical aspects of chem- istry and their relationships with physics gave rise to the birth of this new discipline and to the creation of the first chairs and journals of chemical physics.
    [Show full text]
  • From Physical Chemistry to Chemical Physics, 1913-1941
    International Workshop on the History of Chemistry 2015 Tokyo From Physical Chemistry to Chemical Physics, 1913-1941 Jeremiah James Ludwig-Maximillian University, Munich, Germany There has never been one unique name for the intersection of chemistry and physics. Nor has it ever been defined by a single, stable set of methods. Nevertheless, it is possible and arguably rewarding to distinguish changes in the constellation of terms and techniques that have defined the intersection over the years. I will speak today about one such change, the advent and ascendancy of chemical physics in the interwar period. When the young Friedrich Wilhelm Ostwald first began to formulate his campaign for “physical chemistry” in 1877, he used the term almost interchangeably with two others, “general chemistry” and “theoretical chemistry.” According to his vision of what would soon become a new chemical discipline, physical chemistry would investigate and formulate the general principles that underlie all chemical reactions and phenomena. The primary strategy that he and his allies used to generate these principles was to formulate mathematical “laws” or “rules” generalizing the results of numerous experiments, often performed using measuring apparatus borrowed from physics. Their main fields of inquiry were thermochemistry and solution theory, and they avoided and often openly maligned speculations regarding structures or mechanisms that might underlie the macroscopic regularities embodied in their laws.1 In the first decades of the 20th-century, the modern atomic theory was firmly established, and with only a slight delay, the methods of 19th-century physical chemistry lost a considerable proportion of their audience. Theories relying upon atomistic thinking began to reshape the disciplinary intersections of chemistry and physics, and by the end of the 1930s, cutting-edge research into the general principles of chemistry looked quite different than it had at the turn of the century.
    [Show full text]
  • Materials Science Graduate Program Student Handbook Rev
    Kent State University Materials Science Graduate Program Student Handbook Rev. June/2020 Contents 1. Introduction .......................................................................................................................................... 2 3. Programs Learning Outcomes .............................................................................................................. 2 4. Graduate Program Contact Information ............................................................................................. 3 5. Application Procedure .......................................................................................................................... 3 5.1 Application Deadline ........................................................................................................................... 3 5.2 Application Requirement .................................................................................................................... 4 6. Admission Process ................................................................................................................................ 4 6.1 Admission Decision Timeline .............................................................................................................. 5 7. Financial Support .................................................................................................................................. 5 8. Taxes on Stipend .................................................................................................................................
    [Show full text]
  • Chemistry (CHEM) 1
    Chemistry (CHEM) 1 Chemistry (CHEM) CHEM 117. Chemical Concepts and Applications. 3 Credits. Introduction to general and organic chemistry, with applications drawn from the health, environmental, and materials sciences. Prereq or Coreq: MATH 103, MATH 104 or MATH 107 or Math placement. CHEM 117L. Chem Concepts and Applications Lab. 1 Credit. Introduction to general and organic chemistry, with applications drawn from the health, environmental, and materials sciences. Prereq or Coreq: MATH 103, MATH 104, MATH 107 or Math placement. CHEM 121L. General Chemistry I Laboratory. 1 Credit. Matter, measurement, atoms, ions, molecules, reactions, chemical calculations, thermochemistry, bonding, molecular geometry, periodicity, and gases. Prereq or Coreq: MATH 103 or MATH 107 or Math placement. CHEM 121. General Chemistry I. 3 Credits. Matter, measurement, atoms, ions, molecules, reactions, chemical calculations, thermochemistry, bonding, molecular geometry, periodicity, and gases. Prereq or Coreq: MATH 103 or MATH 107 or Math placement. CHEM 122L. General Chemistry II Laboratory. 1 Credit. Intermolecular forces, liquids, solids, kinetics, equilibria, acids and bases, solution chemistry, precipitation, thermodynamics, and electrochemistry. Prereq: CHEM 121L. CHEM 122. General Chemistry II. 3 Credits. Intermolecular forces, liquids, solids, kinetics, equilibria, acids and bases, solution chemistry, precipitation, thermodynamics, and electrochemistry. Prereq: CHEM 121. CHEM 140. Organic Chemical Concepts and Applications. 1 Credit. Introduction to organic chemistry for pre-nursing and other students who need to meet the prerequisite for CHEM 260. CHEM 150. Principles of Chemistry I. 3 Credits. Chemistry for students with good high school preparation in mathematics and science. Electronic structure, stoichiometry, molecular geometry, ionic and covalent bonding, energetics of chemical reactions, gases, transition metal chemistry.
    [Show full text]
  • A Glimpse of Materials Research in China a Report from an Interagency Study Team on Materials Visiting China from June 19, 1995 to June 30, 1995
    NATL INST. OF STAND ^JECH Rrf^ I PUBLICATIONS mill nil nil I II A111Q4 7T2m3 United States Department of Commerce Technology Administration National Institute of Standards and Technology NIST Special Publication 893 A Glimpse of Materials Research in China A Report From an Interagency Study Team on Materials Visiting China From June 19, 1995 to June 30, 1995 Stephen M. Hsu and Lyle H. Schwartz^ Editors QC 100 ,U57 NO. 893 1995 Jhe National Institute of Standards and Technology was established in 1988 by Congress to "assist industry in the development of technology . needed to improve product quality, to modernize manufacturing processes, to ensure product reliability . and to facilitate rapid commercialization ... of products based on new scientific discoveries." NIST, originally founded as the National Bureau of Standards in 1901, works to strengthen U.S. industry's competitiveness; advance science and engineering; and improve public health, safety, and the environment. One of the agency's basic functions is to develop, maintain, and retain custody of the national standards of measurement, and provide the means and methods for comparing standards used in science, engineering, manufacturing, commerce, industry, and education with the standards adopted or recognized by the Federal Government. As an agency of the U.S. Commerce Department's Technology Administration, NIST conducts basic and applied research in the physical sciences and engineering, and develops measurement techniques, test methods, standards, and related services. The Institute does generic and precompetitive work on new and advanced technologies. NIST's research facilities are located at Gaithersburg, MD 20899, and at Boulder, CO 80303. Major technical operating units and their principal activities are listed below.
    [Show full text]
  • Chemical Physics
    Chemical Physics Generating Solutions Chemical Physics examines the atomic and molecular nature of chemical and physical processes. It combines the theoretical approach with the molecular focus of chemistry. Chemical Physics emphasizes laboratory work and recognizes the links between many areas of Chemistry and Physics, such as the use of X-ray diraction to determine molecular structure. Students cover issues such as the study of organic, inorganic and biological chemistry and fundamental interactions at the atomic level. Students also study the use of physical techniques such as spectroscopy, X-ray, nuclear scattering and microscopy to examine the identity and structure of chemical compounds. Overall, the Chemical Physics major provides a broader background than a major in either Physics or Chemistry and opens the door to a wide variety of possible careers. University of Guelph Advantage • An international reputation for excellence in research grants awarded to faculty that have been consistently higher than the national average for over a decade • Five Physics/Biological & Medical Physics faculty members have been named as Fellows of the Royal Society of Canada Our co-op process responds to your needs. Employers can post, hire and interview throughout the semester and our students are available for 4 or 8 month work terms. The Recruit Guelph hiring tool makes hiring Guelph co-op students easy! Student Strengths • Excellent communication and problem solving abilities • Fundamental knowledge of basic physics, chemistry, math and scientic programming • A solid foundation in circuit theory, wave theory and optics as well as analytical, physical and/or organic chemistry • Strong lab technique, report writing and spectroscopy skills [email protected] www.recruitguelph.ca (519) 824-4120 ext.
    [Show full text]
  • Future of Chemical Physics
    Future of Chemical Physics 31 August to 2 September, 2016 St. Edmund Hall University of Oxford Oxford, United Kingdom PROGRAM Future of Chemical Physics All meals will be served in St. Edmund Hall (SEH), Wolfson Hall. Scientific talks and coffee/tea breaks will take place in the Physical and Theoretical Chemistry Lecture Theatre (PTCL), Department of Chemistry. Poster Sessions will be held at the Jarvis Doctorow Hall (JDH), St. Edmund Hall. Wednesday 31 August Future of Chemical Physics 9:00–13:00 ....................Registration in St. Edmund Hall 13:45–14:00 ..................Welcome and opening remarks - Marsha I. Lester (PTCL) Date: 31 August – 2 September, 2016 Session I: Atoms, Molecules and Clusters (Chair: David W. Chandler) 14:00 ................................... André Fielicke (Fritz-Haber-Institut der Max-Planck-Gesellschaft Shedding IR light on gas-phase metal clusters: insights into structures Location: St. Edmund Hall, University of Oxford, and reactions Oxford, United Kingdom 14:30 .................................... Jonathan Reid (University of Bristol) Challenges in the chemical physics of aerosols 15:00 ................................... Claire Vallance (University of Oxford) Conference Organizers: State-of-the-art imaging techniques for chemical dynamics studies Angelos Michaelides (University College London), Associate Editor, JCP 15:30–16:00 ..................Coffee and tea break David Manolopoulos (University of Oxford), Deputy Editor, JCP Session II: Liquids, Glasses, and Crystals (Chair: Jeppe Dyre) Peter Hamm (University of Zürich), Deputy Editor, JCP 16:00 ................................... Ludovic Berthier (Université de Montpellier) Carlos Vega (University Complutense of Madrid), Associate Editor, JCP Facets of glass physics Marsha I. Lester (University of Pennsylvania), Editor in Chief, JCP 16:30 .................................... Kristine Niss (Roskilde University) Is the glass transition universal? 17:00 ...................................
    [Show full text]
  • Journal Citation Studies. 46.Physical Chemistry Aml Chemical Physics
    CuFFent Cammamts” EUGENE GARFIELD INSTITUTE FOR SCIENTIFIC INFORMATION* 3501 MARK ET ST, PHILADELPHIA, PA 191C4 JoursIal Citation Studies. 46. Physical Chemistry aml Chemical Physics Journals. Part 1. Historical Background and Global Maps Number 1 January 6, 1986 This is the 46th in a series of journal ci- will then concentrate on the 31 physical tation analyses reported in Current Con- chemistry/chemical physics journals tenfs” {C(P) over the past two decades. listed in Table 1. It is my ambition to eventually round out these studies so that we can provide a Hf.wory successor to the monograph known to college and research librarians the world Physical chemistry began as the study over as Brown’s Scientific .$eriak. I Of of the “physical” properties of chemical course, the Science Citation Index” substances. Many of these properties (SCP ) and its annual volumes of the were discovered in the nineteenth cen- Journal Citation Report@ (JCP ) are tury. For example, in the early 1800s far more detailed tools for collection Humphry Davy (UK) and Jons Jakob managers. But the very brevity of Berzelius (Sweden) demonstrated for Brown’s analysis has a special virtue that the first time the electrical nature of we hope to emulate by updating and ex- chemical affinity, the relationship be- panding the brief reports we published tween substances that causes them to earlier in Science2 and Nuture.3 combined (p. 8-9) It was Hermann Kopp In this three-part journal study, we fo- (Germany), however, who made the first cus on 31 periodicals from physical real effort, in 1840, to measure the prop- chemistry and chemical physics, two dis- erties of chemical substances while cor- ciplines that today are inextricably relating these qualities with chemical linked.
    [Show full text]
  • Chemistry (CHEM) 1
    Chemistry (CHEM) 1 solvent effects, quantitative structure-reactivity relationships, pericyclic CHEMISTRY (CHEM) reactions, and photochemistry. CHEM 411-0 Organic Spectroscopy (1 Unit) CHEM 360-0 Nanopatterning: Top-down meets Bottom-up (1 Unit) Applications of contemporary spectroscopic methods to organic Introduction to current problems in nanoscale science and technology; structural and dynamic problems. hands-on experience with nanoscale characterization tools and benchtop nanoscale experiments. With laboratory. CHEM 412-0 Organometallic Reaction Mechanisms (1 Unit) Prerequisites: CHEM 132-0 and CHEM 142-0, or CHEM 152-0 and Organic reaction mechanisms, including carbocations, carbanions, CHEM 162-0, or CHEM 172-0 and CHEM 182-0 (C- or better), or equivalent. carbenes, nitrenes, radicals, rearrangement reactions and Natural Sciences Distro Area photochemistry. CHEM 401-0 Principles of Organic Chemistry (1 Unit) CHEM 413-0 Advanced Organic Chemistry 1. Advanced concepts of Introduction to the field of physical organic chemistry. Topics include organic reactivity and selectivity in synthesis. (1 Unit) bonding and structure, conformational analysis, stereochemistry, acids Advanced topics in organic chemistry: bonding, reaction intermediates, and bases, reactivity, and reaction mechanisms. CHEM 301-0 and functional group transformations, reaction methodology; approaches to CHEM 401-0 are taught together. natural product synthesis. Prerequisites: CHEM 212-3 or CHEM 210-3 and CHEM 230-3 (C- or better) CHEM 413-2 Advanced Organic Chemistry II (1 Unit) and 1 quarter of physical chemistry; or consent of instructor. Advanced topics in organic chemistry continued: organometallic reaction CHEM 402-0 Principles of Inorganic Chemistry (1 Unit) methodology, catalysis, and their application to total synthesis. Topics in advanced inorganic chemistry.
    [Show full text]
  • CHEMICAL PHYSICS Frontier Research on Physical Phenomena in Chemistry, Biology and Materials Science
    CHEMICAL PHYSICS Frontier research on physical phenomena in chemistry, biology and materials science AUTHOR INFORMATION PACK TABLE OF CONTENTS XXX . • Description p.1 • Audience p.1 • Impact Factor p.1 • Abstracting and Indexing p.2 • Editorial Board p.2 • Guide for Authors p.4 ISSN: 0301-0104 DESCRIPTION . Criteria for publication in Chemical Physics are novelty, quality and general interest in experimental and theoretical chemical physics and physical chemistry. Articles are welcome that deal with problems of electronic and structural dynamics, reaction mechanisms, fundamental aspects of catalysis, solar energy conversion and chemical reactions in general, involving atoms, molecules, proteins, clusters, surfaces, interfaces and bulk matter. Reports on new methodologies and comprehensive assessments of existing ones, as well as applications to new types of problems are especially welcome. Experimental papers are expected to be brought into relation with theory, and theoretical papers should be connected to present or future experiments. Manuscripts that apply standard methods to specific physical-chemical problems and/or to specific systems are appropriate if they report novel results for an important problem of high interest and/or if they provide significant new insights. Manuscripts describing routine use or minor extensions or modifications of established and/or published experimental and theoretical methodologies are not appropriate for the journal. In addition, manuscripts describing analytical procedures that use established spectroscopic techniques, such as for sample characterization, will not be accepted for publication, even if they appear new or improved with respect to procedures previously used. In addition to regular research papers, Chemical Physics publishes invited perspectives articles (called ChemPhys Perspectives) and Special Thematic Issues.
    [Show full text]