The Journal of
Physical Chemistry ~~
0 Copyright. 1991. by the Americon Chemirol Sociery
VOLUME 95, NUMBER 21 OfXOBER 17,1991
RICHARD B. BERNSTEIN
Phatmnph munsy of Norm Sehmdkr
There are many reasons why we shall miss Dick Eiernstein, both personal and scientific. One of them is his continuous championship of younger colleagues. Among the advice that he used to give them often was that a piece of work is never completed until it is published in the open scientific literature. The public dissemination of scientific results was, for him, an integral part of the task of the researcher. The collection of some 70 articles in this memorial issue shows that we practice what he taught us. There was no need to solicit contributions. The papers came spontaneously from all around the world as former students, postdocs, and colleagues paid a last tribute to a teacher, mentor, and forefront researcher. In addition to contributions from the community of molecular dynamics at large, a good fraction of the papers in this issue represent presentations made at the NATO Santa Cruz Conference on Dynamical Stereochemistry. This conference was coorganized by Professors D. H. Parker and S. Stolte, two of Dick Bernstein’s postdoctoral fellows. The subject of that conference was particularly central to Dick Bernstein’s scientific interests. He played a key role in both the 1986 Jerusalem conference (published in the J . Phys. Chern. 1987, 91, 5365-5516) and the 1988 Bad Honnef conference and was providing close advice and support to the organizers of the 1990 Santa Cruz conference up to the time of his fateful trip to Leningrad. It was therefore particularly appropriate that the 1990 conference was renamed in his memory. We are very grateful to Professors Parker and Stolte and to all the participants as well as to the NATO office of research conferences for allowing us to include the papers from that memorial meeting in this special issue. Raphael D. Levine, Guest Ediror Ahmed Zewail, Cuesr Ediror M.A. El-Sayed, Editor W22-3654/91/2095-7961S02.50/0 Q 1991 American Chemical Society
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Bbgraphy of Richard 6. Bernsteln Richard B. Bernstein was born in New York City, October 3 1, 1923. He was married to Norma B. Olivier, December 17, 1948. They have four children: Neil, Minda, Beth, and Julie. He received an A.B. with honors in Chemistry and Mathematics (1943), and the Ph.D. in Chemistry (1948) from Columbia University working with Professor T. I. Taylor. He held academic appointments at Illinois Institute of Technology (1948-53), Michigan (1953-63), Wisconsin (1963-73), Texas (1973-77). and Columbia (1977-81). During 1982 and 1983, he was Senior Vice President of the Occidental Research Corporation. He then joined the UCLA faculty (1983-90). In 1955, Dr. Bernstein began his molecular beam scattering studies. From a taped conversation with Professor Fenn (Yale), Professor Bernstein indicated that Willis Lamb and Norman Ramsey inspired him as a student to become interested in the field but it was his friend Sheldon Datz that helped him to get into the field. His many innovations in this field include the following: developing velocity selectors and observing atomic rainbow-scattering; orienting molecular beams with electrostatic hexapoles to study the orientation dependence of elastic, inelastic, and reactive scattering and steric effects in molecule-surface scattering; measuring the translational energy threshold and thus barriers for endoergic reactions of neutrals; uncovering extensive ion-fragmentation processes in laser multiphoton absorption; and, with A. H.Zewail, studying chemical reactions on the femtosecond time scale. Dr. Bernstein also made important theoretical contributions including the information-theoretical approach to state-testate chemistry with R. D. Levine. Dr. Bernstein authored or coauthored numerous articles and several important books in the field of molecular dynamics. Dr. Bernstein served as editor for a number of journals and as a member of many distinguished national committees. He was a Fellow of the A B , AAAS, and the American Academy of Arts and Sciences and member of the National Academy of Sciences, ACS, and Sigma Xi. He received the Peter Debye Award (1981), Irving Langmuir Award (1988), and Willard Gibbs Medal (1989) of the ACS; the NAS Award in Chemical Sciences (1985); D.Sc. (Hon.) (1988) from the University of Chicago; Robert A. Welch Award in Chemistry (1988); and the National Medal of Science (1 989).
Raphael D. Levine, Guest Editor Ahmed Zewail, Guest Editor M. A. El-Sayed, Editor
Students of Richard B. Bernstein Postdoctoral Students Adon A. Gordus William A. Lester, Jr. Frederick J. Grabiner Michael T. Marron Arthur E. Grosser Thomas M. Mayer Halstead Harrison Donald A. McQuarrie Shigeo Hayashi David A. Micha Hans U. Hostettler George A. Miller Stanislav I. Ionov Ronald E. Olson Irina V. Ionova S. Anthony Pace Yi-Feng Jiang David H. Parker B. Robert Johnson Merle D. Pattengill Wayne M. Pope James L. Kinsey Karl H. Kramer Mark A. Quesada Philip L. Kuntz Herschel A. Rabitz
Kurt G. Anlauf F. Javier Aoiz Michael P. Barbalas Donald Barton Robert W. Bickes, Jr. Anthony R. Blythe Edward A. Bromberg Gary Catchen Daniel R. Coulter Saswati Datta-Ghosh Alan S.Dickinson Michael B. Faist James F. Garvey
Charles Rebick Clyde Riley J. Dennis Russell Hugo Schumacher Steven Stolte A. Gonzalez Urena Fred J. Van Itallie Tony T. Warnock Guenter G. Weber Konrad T. Wu L. Zandee
Graduate Students Richard M. Adams (I.I.T.) Robert W. Bickes, Jr. (U.W.) Robert J. Beuhler, Jr. (U.W.) Linda M. Casson (C.U.) Kishore K. Chakravorty (C.U.) Victoria A. Cho (U.C.L.A.) Seung E. Choi (U.C.L.A.) Thomas J. Curtiss (U.C.L.A.) Roger W. Fenstermaker (U.W.) Herbert L. Friedman (I.I.T.) Suketu R. Gandhi (U.C.L.A.) Michael E. Gersh (U.W.) Keith T. Gillen (U.W.) Peter J. Groblicki (U.M.) Patrick Grunberg (U.C.L.A.) John A. Haberman (U.W.)
Morton Z. Hoffman (U.M.) Thomas J. Houser (U.M.) Roger F. Klemm (U.M.) Robert A. LaBudde (U.W.) Michael E. LaVilla (U.C.L.A.) Robert J. LeRoy (U.W.) Marsha I. Lester (C.U.) Daniel A. Lichtin (C.U.) Herbert E. Litvak (U.W.) Robert L. Love (U.T.) R. Scott Mackay (U.C.L.A.) Robert D. Misch (I.I.T.) Margaret A. McMahan (C.U.) Fred L. Morritz (I.I.T.) Frederick A. Morse (U.M.) James T. Muckerman (U.W.)
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0 1991 American Chemical Society
Kenneth R. Newton (C.U.) Thomas J. O’Brien (U.W.) Modest M. Oprysko (C.U.) Harry F. Pang (U.T.) Greg R. Phillips (U.T.) Alan E. Proctor (U.W.) Robert E. Roberts (U.W.) Erhard W. Rothe (U.M.) Alan M. Rulis (U.W.) Morley E. Russell (U.M.) George P. Semeluk (I.I.T.) Garry B. Spector (C.U.) David W. Squire (C.U.) Theodore G. Waech (U.W.) Bruce E. Wilcomb (U.T.) Qi-Xun Xu (U.C.L.A.)
J. Phys. Chem. 1991,95,7963-7963
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Richard Bernstein: Zestful Explorer of Collision Dynamics For more than 30 years, Dick Bernstein probed fundamental aspects of molecular collisions with exemplary skill and dedication. He has left to us a splendid legacy, both in the many methods and key results he developed and in his exuberant style of work. Like many others, I am deeply grateful for experiences and enthusiasms shared with Dick. We first met in the Spring of 1959, when he came to an ACS meeting in Boston to report his initial molecular beam experiments. It was exhilarating to discover that such a remarkable man had likewise become captivated by what molecular beams might do for chemistry. In those days, most respectable chemists were skeptical or indifferent. The passionate, spiritual force Dick conveyed was a vital impetus for me, as it was to be for a host of his students and colleagues. Dick began with elastic scarrering and established several basic methods for determining the principal parameters of the intermolecular potential energy function. Algorithms devised by him are widely used. Undulatory structure due to quantum interference effects was first observed in his laboratory, and he predicted and confirmed a new quantum effect in the low-energy scattering. This is now referred to as “glory undulations”, but in the early days we called the structure “Bemstein’s wiggles”. Dick also developed a new method, complementary to beam scattering, for determining long-range intermolecular forces. This is based on analysis of predissociation spectra and is particularly valuable for electronically excited atoms. Dick also studied in a comprehensive and systematic fashion many kinds of inelastic energy-transfer processes. He explored a variety of theoretical methods and also contributed a prototype experimental approach, the molecular beam analogue of Raman spectroscopy. In this, he observed collisional transfer of rotational energy into translation by use of mechanical velocity selection of the incident beam and velocity analysis of the scattered atoms. Since the mid-l960s, Dick’s primary focus became chemical reactions. Here again, he used velocity selection methods to obtain detailed quantitative information about the partitioning of the reaction energy between translational motion and internal excitation of the product molecules, and about the variation of reaction probability with collision velocity. He also carried out one of the first experiments to observe the effect of steric hindrance on a chemical reaction by orienting the target molecules in an electric field. Over the years he repeatedly returned to this experiment, each time bringing it to a much higher level of resolution. He called the orientation experiment his “old flame”. Ultimately, Dick was working with beams of molecules with completely defined
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quantum states and velocity. Dick also had a major role in the development of multiphoton ionization mass spectrometry, thereby applying lasers in an incisive way to a wide range of chemical problems. In recent years, his collaboration with Ahmed Zewail developed a new method for “real-time” clocking of the lifetime of a reactive collision complex. This is an achievement, as Dick might whimsically say, of “real moment” (Le., just a few femtoseconds). Among Dick’s many theoretical contributions, perhaps the most celebrated is his introduction of information theory methods for the analysis of both experimental and theoretical results. In collaboration with Raphy Levine, he used these methods to correlate and elucidate many phenomena. This approach continues to find wider and wider application. Dick also made major contributions to systematizing and shaping the field of molecular collision processes by means of his three books. One book he edited provides a collection of theoretical articles addressed to experimentalists. Another he prepared as a broad and engaging survey based on the Hinshelwood Lectures he gave at Oxford. The third, again in collaboration with Raphy, is an excellent text addressed to students. This bare outline of Dick’s scientific odyssey is of course addressed to readers not yet familiar with the extraordinary scope of his work. The methods he introduced and the justly celebrated results he won from the close study of prototypical systems will long continue to serve as paradigms for collision dynamics. Impressive as this legacy is, however, it is not the chief reason why Dick Bernstein was so admired. Beyond his exceptional abilities and contributiom, he brought intense devotion to science and awesome vitality. Dick was perpetually in an excited state and got everyone associated with him excited also about new ideas, approaches, and perspectives. Yet Dick was also a consummate professional. Many times he became interested in a topic, explored it in a remarkably systematic and thorough way, completed the definitive treatment of the subject, and then moved on to some new area. He maintained astute judgment and scientific craftsmanship along with his artistic passion and zeal. Future scientists who take up the challenging field of collision dynamics will surely be inspired by the architectural vision of Dick Bernstein. May they strive also to emulate his joyful, enterprising spirit, which so enhanced every encounter with his colleagues as well as with his beloved molecules. Dudley Herschbach
0 1991 American Chemical Society
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Publlcatlons of Richard B. Bernstein 1.
T. I. Taylor and R. B. Bernstein. Enrichment of 13Cand '*Oby a Countercurrent Gaseous Exchange Process Using Thermal Diffusion. J. Am. Chem. SOC. 69, 2076 (1 947).
2. 3. 4.
R. B. Bernstein and T. I. Taylor. Conversion of Isotopically Enriched C 0 2 to CO. Science 106, 498 (1947). R. B. Bernstein and T. I. Taylor. Countercurrent Gaseous Exchange Method for the Separation of Isotopes. J . Chem. Phys. 16, 903 (1948). R. B. Bernstein and T. I. Taylor. A Simple Recording System for a Mass Spectrometer. Rev. Sci. Instrum. 19,
22.
R. B. Bernstein and J. J. Katz. Isotope Exchange Reactions of Fluorine with Halogen Fluorides. J . Phys. Chem. 56,
23.
R. B. Bernstein. Enrichment of Isotopes by Difference in Rates for Irreversible Isotopic Reactions. J. Phys. Chem.
24.
D. A. Pontarelli, A. G. Meister, F. F. Cleveland, F. L. Voelz, R. B. Bernstein, and R. H. Sherman. Substituted Methanes. IX. Raman and Infrared Spectra, Assignments, Potential Constants and Calculated Thermodynamic Properties for CHClBr, and CDCIBr2. J. Chem. Phys. 20, 1949 (1952). R. B. Bernstein, A. A. Gordus, and F. F. Cleveland. Substituted Methanes. XII. Infrared Spectral Data for Deuterotrichloromethane. J. Chem. Phys. 20, 1979
885 (1952). 56, 893 (1952).
719 (1948). 5. 6.
7.
R. B. Bernstein. Note on Transient Pressure Effect in Effusion. J. Chem. Phys. 17, 209 (1949). R. D. Misch, R. B. Bernstein, and H. J. McDonald. Influence of Certain Surface-Active Compounds upon the Hydrogen Permeability of a Palladium Cathode. J. Phys. Colloid Chem. 54, 681 (1950). S.M. Ferigle, F. F. Cleveland, W. M. Boyer, and R. B. Bernstein. Substituted Methanes. 11. Vibrational Spectra and Calculated Thermodynamic Properties of Deuterotribromomethane. J. Chem. Phys. 18, 1073
25.
(1952). 26.
27.
(1950). 8.
J . R. Madigan, F. F. Cleveland, W. M. Boyer, and R. B. Bernstein. Substituted Methanes. IV. Vibrational Spectra and Calculated Thermodynamic Properties of Deuterotrichloromethane. J. Chem. Phys. 18, 108 1
(1953). 28.
(1950).
9. 10. 11.
G. P. Semeluk and R. B. Bernstein. Isotope Exchange Reaction of Chloroform-d with Bromoform. J . Am. Chem. SOC. 72, 4830 (1950). 0. E. Knapp, H. S.Moe, and R. B. Bernstein. Infrared Determination of Ortho and Meta Isomers in p-Cresol. Anal. Chem. 22, 1408 (1950). W. M. Boyer, R. B. Bernstein, T. L. Brown, and V. H. Dibeler. Investigation of the Deuterohaloform Synthesis. A New Preparation of Chloroform-d. J. Am. Chem. Soc.
29.
13. 14.
R. H. Sherman and R. B. Bernstein. Exchange of Deuterium Oxide with Bromodichloromethane and Chlorodibromomethane. J . Am. Chem. SOC.73, 1376 (1951). R. B. Bernstein and D. D. Cubicciotti. The Kinetics of the Reaction of Germanium and Oxygen. J . Am. Chem. SOC. 73, 4112 (1951). L. L. Baker, Jr., and R. B. Bernstein. Carbonyl Nickel Films as Hydrogenation Catalysts. J. Am. Chem. SOC.
31. 32. 33.
73, 4434 (1951). 15.
J. R. Ligenza and R. B. Bernstein. The Rate of Rise of Liquid in Fine Vertical Capillaries. J . Am. Chem. Soc.
C. E. Decker, A. G. Meister, F. F. Cleveland, and R. B. Bernstein. Substituted Methanes. XVI. Vibrational Spectra, Potential Constants, and Calculated Thermodynamic Properties of Dibromodifluoromethane. J . Chem. Phys. 21, 1781 (1953). R. B. Bernstein, J. E. Lamport, and F. F. Cleveland. Substituted Methanes. XIX. I3C Isotopic Shifts in the Vibrational Spectrum of Methanol. J. Chem. Phys. 21, 1903 (1953).
30.
73, 770 (1951). 12.
C. E. Decker, F. F. Cleveland, and R. B. Bernstein. Substituted Methanes. XIII. Infrared Spectral Data and Assignments for Dibromodifluoromethane. J . Chem. Phys. 21, 189 (1953). R. B. Bernstein, J. P. Zietlow, and F. F. Cleveland. Substituted Methanes. XV. Infrared Spectral Data, Assignments, and Calculated Thermodynamic Properties for Fluorotrichloromethane. J. Chem. Phys. 21, 1778
R. B. Bernstein, G. P. Semeluk, and C. B. Arends. Determination of Some Chlorine-Substituted Methanes and Ethanes. Infrared and Mass Spectrometric Determination. Anal. Chem. 25, 139 (1953). F. L. Morritz, E. Lieber, and R. B. Bernstein. Kinetics of the Raney Nickel Catalyzed Hydrogenation of Crotonic Acid. J. Am. Chem. SOC. 75, 31 16 (1953). R. B. Bernstein and J. J. Katz. Fluorine-18: Preparation, Properties and Uses. Nucleonics 11, 46 (1953). F. L. Voelz, F. F. Cleveland, A. G. Meister, and R. B. Bernstein. Substituted Methanes. XVII. Vibrational Spectra, Potential Constants and Calculated Thermodynamic Properties of Diiodomethane. J. Opt. Soc. Am. 43, 1061 (1953).
16.
R. B. Bernstein and D. D. Cubicciotti. The Permeability of Zirconium to Hydrogen. J. Phys. Colloid Chem. 55,
17.
R. D. Misch and R. B. Bernstein. Influence of Certain Surface-Active Compounds on the Hydrogen Overvoltage of Platinum and Copper. J . Phys. Colloid Chem. 55,
R. M. Adams, R. B. Bernstein, and J. J. Katz. Kinetics of Isotope Exchange Reactions of Fluorine with Some Halogen Fluorides. J. Chem. Phys. 22, 13 (1954). 35. R. B. Bernstein, F. F. Cleveland, and F. L. Voelz. Substituted Methanes. XVIII. Vibrational Spectra of I3CH31. J . Chem. Phys. 22, 193 (1954). 36. R. B. Bernstein. Carbon-13 Isotope Effect in the Thermodecomposition of Nickel Carbonyl. J. Chem. Phys.
1401 (1951). T. L. Brown and R. B. Bernstein. Infrared Determination
37.
A. A. Gordus and R. B. Bernstein. Isotope Effect in Continuous Ultraviolet Absorption Spectra: Methyl Bromide-d and Chloroform-d. J. Chem. Phys. 22,790
38.
G. P. Semeluk and R. B. Bernstein. The Thermal Decomposition of Chloroform. I. Products. J. Am. Chem.
73, 4636 (1951). 238 (1951).
18. 19.
of Methyl Deuteride. Application to Analysis of Deuterium Oxide. Anal. Chem. 23, 673 (1951). V. H. Dibeler and R. B. Bernstein. Isotope Effect on Dissociation Probabilities in the Mass Spectra of Chloroform and Chloroform-d. J . Chem. Phys. 19, 404
34.
22, 710 (1954).
(1954).
(1951). 20. 21.
D. V. Kniebes, S. Katz, and R. B. Bernstein. Mass Spectrometer Resolution of Ion Pairs of Similar mle. J . Chem. Phys. 19, 654 (1951). R. B. Bernstein and M. Metlay. Note on the Electron Affinity of Fluorine. J . Chem. Phys. 19, 1612 (1951). 0022-365419 112095-7964%02.50/0
39.
Soc. 76, 3793 (1954). W. G.Henderson, Jr., and R. B. Bernstein. Deuterium
Isotope Effect in the Reaction of Water Vapor with Zinc. 40.
J. Am. Chem. SOC.76, 5344 (1954). H. L. Friedman, R. B. Bernstein, and H. E. Gunning. Carbon-13 Isotope Effect in the Thermodecomposition
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of Ethyl Bromide. J . Chem. Phys. 23, 109 (1955). H. B. Weissman, R. B. Bernstein, S. E. Rosser, A. G. Meister, and F. F. Cleveland. Substituted Methanes. XXIII. Infrared Spectral Data, Rotational Constants, Normal Coordinate Treatment and Thermodynamic Properties for CD3Br and CH3Br. J . Chem. Phys. 23, 544 (1955).
42,
43. 44. 45.
46.
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49. 50.
51. 52.
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60.
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S.R. Polo, A. Palm, F. L.Voelz, F. F. Cleveland, A. G. Meister, R. B. Bernstein, and R. H. Sherman. Substituted Methanes. XXVI. Raman and Infrared Spectral Data, Assignments, Potential Constants and Thermodynamic Properties for CHBrCI2 and CDBrCI2. J. Chem. Phys. 23, 833 (1955). R. M. Adams, R. B. Bernstein, and J. J. Katz. Kinetics of the Isotope Exchange Reaction of Fluorine with Hydrogen Fluoride. J. Chem. Phys. 23, 1622 (1955). R. B. Bernstein. Oxygen-18 Isotope Effect in the Reaction of Oxygen with Copper. J. Chem. Phys. 23,1797 (1955). R. B. Bernstein and H. G. Pars. Tracer Study of the Source of the Oxygen in Precipitated HgO and Ag20, 0l8 Isotope Effect in the Reaction of OH- with Hg++ and Ag+. J. Am. Chem. SOC.77, 4433 (1955). R. B. Bernstein, R. G. Miekka, and J. C. Angus. Deuterium Exchange between Trichloroethylene and Water, Infrared Spectral Data for Trichloroethylene-d. J . Am. Chem. SOC.77, 6201 (1955). H. L. Friedman, R. B. Bernstein, and H. E. Gunning. Comments on the I3C Isotope Effect in the Thermodecomposition of Ethyl Bromide. J. Chem. Phys. 23, 1722 (1955). R. B. Bernstein and M. Tamres. Concentration Dependence of Solvent Shift in the C-H (and C-D) Stretching Frequencies of Chloroform and Pentachloroethane. J . Chem. Phys. 23, 2201 (1955). G.P. Semeluk and R. B. Bernstein. The Thermal Decomposition of Chloroform. 11. Kinetics. J. Am. Chem. SOC.79, 46 (1957). R. B. Bernstein, G. H. Pars, and D. C. Blumenthal. I8O Study of the Reaction of Hydroxide with Mercury(I1) Nitrate. Characterization of Basic Nitrates of Mercury(I1). J. Am. Chem. SOC.79, 1579 (1957). H. L. Friedman, R. B. Bernstein, and H. E. Gunning. 13C Isotope Effect in the Photolysis of Ethyl Bromide. J . Chem. Phys. 26, 528 (1 957). R. B. Bernstein. Simple Laboratory Method for Producing Enriched Carbon-13. Science 126, 119 (1957). R. B. Bernstein. Enrichment of Isotopes by the Difference in Rates of Isotopic Reactions. In Proceedings of the Symposium on Isotope Separation; North-Holland: Amsterdam, 1957; p 313. T. J. Houser and R. B. Bernstein. The Kinetics of the Thermal Decomposition of Pentachloroethane. J . Am. Chem. SOC.80, 439 (1958). M. E. Russell and R. B. Bernstein. Kinetics of the Thermal Decomposition of Dimethylmercury. I. Cyclopentane Inhibition. J . Chem. Phys. 30, 607 (1959). M. E. Russell and R. B. Bernstein. Kinetics of the Thermal Decomposition of Dimethylmercury. 11. Carbon- 13 Isotope Effect. J . Chem. Phys. 30, 613 (1959). A. A. Gordus and R. B. Bernstein. 13C and Deuterium Isotope Effects in the Photolysis of Methyl and Ethyl Bromide. J . Chem. Phys. 30, 973 (1959). G. A. Miller and R. B. Bernstein. Gas-Kinetic Collision Diameters of the Halomethanes. J.Phys. Chem. 63,710 (1959). Y. K. Wei and R. B. Bernstein. Deuterium Exchange between Water and Boehmite (a-Alumina Monohydrate). Activation Energy for Proton Diffusion in Boehmite. J . Phys. Chem. 63, 738 (1959). H. U. Hostettler and R. B. Bernstein. Comparison of Exp-6, L.-J.( 12,6) and Sutherland Potential Functions Applied to the Calculation of Differential Scattering Cross Sections. J . Chem. Phys. 31, 1422 (1959).
64.
65. 66. 67. 68.
E. W. Rothe and R. B. Bernstein. Total Collision Cross Sections for the Interaction of Atomic Beams of Alkali Metals with Gases. J . Chem. Phys. 31, 1619 (1959). M. Z. Hoffman and R. B. Bernstein. Relative Quenching Cross Sections in the Reaction of Hg(6'PI) A t o m with Isotopic N 2 0 Molecules. J. Chem. Phys. 33,526 (1960). H. Schumacher, R. B. Bernstein, and E. W. Rothe. Total Collision Cross Sections for the Interaction of Molecular Beams of Cesium Chloride with Gases. Influence of the Dipole-Dipole Force upon the Scattering. J. Chem. Phys. 33, 584 (1960). H.U. Hostettler and R. B. Bernstein. Improved Slotted Disk Type Velocity Selector for Molecular Beams. Rev. Sci. Instrum. 31, 872 (1960). R. B. Bernstein. Quantum Mechanical (Phase Shift) Analysis of the Differential Elastic Scattering of Molecular Beams. J . Chem. Phys. 33, 795 (1960). M. Z. Hoffman and R. B. Bernstein. The Hg(63Pl)-Photosensitized Decomposition of Nitric Oxide. J . Phys. Chem. 64, 1769 (1960). R. F. Klemm and R. B. Bernstein. Kinetics of the Reaction of Methyl Iodide with Toluene. J.Am. Chem. SOC.82, 5987 (1 960). M. Z. Hoffman and R. B. Bernstein. Isotope Effects in Hg(63PI)-PhotosensitizedReactions: H2+ N 2 0 and H2 NO. J. Phys. Chem. 64, 1753 (1960). H. U. Hostettler and R. B. Bernstein. Observation of Quantum Effects in the Scattering of a Monoenergetic Li Beam by a Crossed Hg Beam. Phys. Rev. Lett. 5, 318 (1960). R. B. Bernstein. Quantum Calculations of the Velocity Dependence of the Differential and Total Cross Sections for Elastic Scattering of Molecular Beams. J. Chem. Phys. 34, 361 (1961). K. Cliisius, K. Schleich, and R. B. Bernstein. Ergebnisse der Tieftemperaturforschung. XXXVII. Die Dampfdruckdifferenz von SO2 und SI8O2zwischen Schmelzund Siedepunkt. Helv. Chim. Acta 45, 252 (1961). R. B. Bernstein. Semiclassical Equivalence Relationship Applied to the Calculation of Molecular Beam Scattering Phase Shifts. J. Chem. Phys. 36, 1403 (1962). F. A. Morse, R. B. Bernstein, and H. U. Hostettler. Evaluation of Intermolecular Potential Well Depth from Observations of Rainbow Scattering: Cs-Hg and K-Hg. J. Chem. Phys. 36, 1947 (1962). R. B. Bernstein. Extrema in Velocity Dependence of Total Elastic Cross Sections for Atomic Beam Scattering: Relation to Di-atom Bound States. J. Chem. Phys. 37, 1880 (1962). F. A. Morse and R. B. Bernstein. Velocity Dependence of the Differential Cross Sections for the Scattering of Atomic Beams of K and Cs by Hg. J. Chem. Phys. 37, 2019 (1962). R. B. Bernstein. High Velocity Molecular Beam Scattering: Total Elastic Cross Sections for L.-J.(n,6) and Exp6(a) Potentials. J. Chem. Phys. 38, 515 (1963). H. Harrison and R. B. Bernstein. Iterative Method for Solution of the One-Dimensional Wave Equation: Eigenvalues and Eigenfunctions for L.-J.( 12,6) and Exp(a,6) Interatomic Potentials. J . Chem. Phys. 38,2135 (1 963); Erratum, ibid. 47, 1884 (1967). R. B. Bernstein and K. H. Kramer. Comparison and A p praisal of Approximation Formulas for Total Elastic Molecular Scattering Cross Sections. J . Chem. Phys. 38, 2507 (1963). R. B. Bernstein. Semiclassical Analysis of the Extrema in the Velocity Dependence of Total Elastic Scattering Cross Sections: Relation to the Bound States. J. Chem. Phys. 38, 2559 (1963). E. W. Rothe, P. K. Rol, and R. B. Bernstein. Interaction Potentials from the Velocity Dependence of Total Atom-Atom Scattering Cross Sections. Phys. Reu. 130, 2333 (1963).
+
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86. 87.
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97. 98. 99.
100.
R. B. Bernstein, A. Dalgarno, H. S.W. Massey, and I. C. Percival. Thermal Scattering of Atoms by Homonuclear Diatomic Molecules. Proc. R. Soc. London, A 274,427 (1963). K . H. Kramer and R. B. Bernstein. Sudden Approximation Applied to Rotational Excitation of Molecules by Atoms. I. Low-Angle Scattering. J. Chem. Phys. 40, 200 (1964). R. B. Bernstein and F. A. Morse. Calculated Scattering Cross Sections for He-He at Thermal Energies. J . Chem. Phys. 40,917 (1964). R. B. Bernstein. Molecular Beam Scattering at Thermal Energies. Science 144, 141 (1964). R. B. Bernstein. Elastic Scattering of Atoms and Molecules in the Thermal Energy Range. In Atomic Collision Processes; M. R. C. McDowell, Ed.; North-Holland Amsterdam, 1964;p 895. P. R. Fontana and R. B. Bernstein. Dipole-Quadrupole and Retardation Effects in Low Energy Atom-Atom Scattering. J . Chem. Phys. 41, 1431 (1964). A. R. Blythe, A. E. Grosser, and R. B. Bernstein. Observation of Rotational De-Excitation of D2 Using Crossed Molecular Beams. J. Chem. Phys. 41, 1917 (1964). A. N. Takata, K. V. Narasimham, A. G. Meister, J. M. Dowling, F. F. Cleveland, S.Sundaram, E. A. Piotrowski, R. B. Bernstein, and S.I. Miller. Substituted Methanes. XXXVII. Raman and Infrared Spectra Data, and Calculated Wave Numbers for CD2BrCIand CHDBrCI. J . Mol. Spectrosc. IS, 319 (1965). S. Imam-Rahajoe, C. F. Curtiss, and R. B. Bernstein. Numerical Evaluation of Quantum Effects on Transport Cross Sections. J . Chem. Phys. 42, 530 (1965). K.H.Kramer and R. B. Bernstein. Focusing and Orientation of Symmetric-Top Molecules with the Electric Six-Pole Field. J. Chem. Phys. 42,767 (1965). A. E. Grosser, A. R. Blythe, and R. B. Bernstein. Internal Energy of Reaction Products by Velocity Analysis. I. Scattered KBr* from the Crossed Molecular Beam Reaction K + HBr. J. Chem. Phys. 42, 1268 (1965). G. G. Weber and R. B. Bernstein. Calculated Elastic Scattering Cross Sections for the Li+-He System. J. Chem. Phys. 42,2166 (1965). P. J. Groblicki and R. B. Bernstein. Atomic Beam Scattering Studies on the Li-Hg System: Quantum Effects and Velocity Dependence of the Cross Sections. J. Chem. Phys. 42,2295 (1965). A. E. Grosser and R. B. Bernstein. Internal Energy of Reaction Products by Velocity Analysis. 11. Scattered KBr* from the Crossed Molecular Beam Reaction K + Br2. J . Chem. Phys. 43, 1140 (1965). R. B. Bernstein and T. J. P. O'Brien. The Extrema Effect in Total Elastic Molecular Beam Scattering Cross Sections for Characterization of the Potential Well. Discuss. Faraday SOC.40, 35 (1 965). R. B. Bernstein. Quantum Effects in Elastic Molecular Scattering. In Advances in Chemical Physics Series; I. Prigogine, Ed.; Wiley-Interscience: New York, 1966; Vol. 10, Chapter 3, pp 75-134. R. B. Bernstein. Long-Range Interatomic Forces from Predissociation Data and Resonances in Atomic Scattering. Phys. Rev. Lett. 16, 385 (1966). G. G. Weber, N. H. Gordon, and R. B. Bernstein. Calculated Elastic Scattering Cross Sections for the H+-He System. J . Chem. Phys. 44,2814-16 (1966). R. B. Bernstein, C. F. Curtiss, S.Imam-Rahajoe, and H. T. Wood. Numerical Evaluation of Barrier Penetration and Resonance Effects on Phase Shifts. J. Chem. Phys. 44,4072 (1 966). R. B. Bernstein and K. H. Kramer. Sudden Approximation Applied to Rotational Excitation of Molecules by Atoms. 11. Scattering of Polar Diatomics. J . Chem. Phys. 44, 4473-85 (1966).
101. R. B. Bernstein. Elastic Scattering of Molecular Beams
102.
103.
104.
105.
106.
107.
108.
109.
1 IO.
for the Determination of Intermolecular Potentials. Consig. Nazl. Ric. Corsi Semin. Chim. 5, 43 (1966); Simp. Dinamica Reazioni Chimiche, Padova. R. J. Beuhler, Jr., R. B. Bernstein, and K. H. Kramer. Observation of the Reactive Asymmetry of Methyl Iodide. Crossed-Beam Study of the Reaction of Rubidium with Oriented Methyl Iodide Molecules. J . Am. Chem. SOC.88,5331 (1966). R. B. Bernstein and T. J. P. O'Brien. Potential-Well Characteristics from the Energy Dependence of the Glory Extrema in Total Elastic Scattering Cross Sections. J . Chem. Phys. 46, 1208 (1967). T. T. Warnock, R. B. Bemstein, and A. E. Grosser. Internal Energy of Reaction Products by Velocity Analysis. 111. Center-of-Mass Angular Distribution and Product Excitation Function for K + Br. J . Chem. Phys. 46,1685 (1 967). T.G.Weech and R. B. Bernstein. Calculated Spectrum of Quasi-bound States for H2 ('Z+) and Resonances in H + H Scattering. J. Chem. d y s . 46,4905 (1967). W. A. Lester, Jr., and R. B. Bernstein. Structural Features of the S-Matrix for the Rotational Excitation of Homonuclear Diatomic Molecules by Atom Impact: Close-Coupled versus Approximate Computations. Chem. Phys. Lett. 1, 207 (1967);Erratum, ibid. 1, 347 (1967). R. B. Bernstein. Molecular Beam Scattering as a Route to the Intermolecular Potential. In Molecular Forces; Pontif. Accad. Sci. Scr. Varia 31,25 (1967). R. B. Bernstein and J. T. Muckerman. Determination of Intermolecular Forces via Low-Energy Molecular Beam Scattering. In Adoances in Chemical Physics; J. 0 . Hirschfelder, Ed.; Interscience Wiley: New York, 1967; Vol. 12, Chapter 8, pp 389-486. B. R. Johnson, D. Secrest, W. A. Lester, Jr., and R. B. Bernstein. A Validation of the Method of Amplitude Density Functions in Computing the S-Matrix for a Scattering Problem. Chem. Pkys. Lett. 1, 396 (1967). C. Riley, K.T. Gillen, and R. B. Bernstein. Polar (Velocity-Angle) Flux Contour Maps for KBr from the Crossed-Beam Reactions K HBr, DBr: Evidence for both Forward and Backward (c.m.) Scattering. J . Chem. Phys. 47,3672 (1967). R. W. Fenstermaker and R. B. Bernstein. Sudden Approximation Applied to Rotational Excitation of Molecules by Atoms. 111. Angular Distribution and Energy Dependence of the Inelastic Scattering. J. Chem. Phys. 47,4417 (1967). R. D. Levine, B. R. Johnson, J. T. Muckerman, and R. B. Bernstein. Internal Excitation in Non-Reactive Molecular Collisions: Resonances in Elastic Scattering of Atoms by Diatomic Molecules. Chem. Phys. Lett. 11, 517 (1968). T. G. Waech, K. H. Kramer, and R. B. Bernstein. Selection and Focusing of Polar Diatomics in States of Positive Induced Electric Dipole Moment Using a Ten-Pole Field. J. Chem. Phys. 48, 3978 (1968). W.A. Lester, Jr., and R. B. Bernstein. Computational Procedure for the Close-Coupled Rotational Excitation Problem: Scattering of Diatomic Molecules by Atoms. J . Chem. Phys. 48,4896 (1968). R. D. Levine, B. R. Johnson, J. T. Muckerman, and R. B. Bernstein. Computational Investigation of Internal Excitation in Non-Reactive Molecular Collisions: Resonances in Rotational Excitation. J . Chem. Phys. 49,56 (1 968). R. E. Olson and R. B. Bernstein. Role of the Anisotropy of the Potential in Quenching of Glory Extrema in Atom-Diatomic Molecule Scattering. J. Chem. Phys. 49, 162 (1968). R. J. Beuhler, Jr., and R. B. Bernstein. Reactive Asymmetry of Methyl Iodide: Crossed Beam Study of the
+
111.
112.
113.
114.
115.
116.
117.
The Journal of Physical Chemistry, Vol. 95, No. 21, 1991 1961
1 18. 119.
120.
Reaction of Rb with Oriented CHJ Molecules. Chem. Phys. Lett. 2, 166 (1968); Erratum, ibid. 3, 118 (1969). D. A. McQuarrie and R. B. Bernstein. Calculated Collision-Induced Absorption Spectrum for He-Ar. J. Chem. Phys. 49, 1958 (1968). T. T. Warnock and R. B. Bernstein. Transformation Relationships from Center-of-Mass Cross Section and Excitation Functions to Observable Angular and Velocity Distribution of Scattered Flux. J . Chem. Phys. 49, 1878 (1968); Erratum, ibid. 51, 4682 (1969). R. E. Roberts, R. B. Bernstein, and C. F. Curtiss. A Resonance Theory of Termolecular Recombination Kinetics: H H M H2 M. Chem. Phys. Lett. 2, 366 (1968). T. G. Waech and R. B. Bernstein. Production of Focused Beams of Polar Diatomic Molecules in Selected Vibrational-Rotational States. Chem. Phys. Lett. 2, 477 (1968). R. B. Bernstein and R. D. Levine. Phenomenological Analysis of Reactive Scattering. J. Chem. Phys. 49,3872 (1968). R. J. LeRoy and R. B. Bernstein. Dissociation Energy and Vibrational Terms of Ground-State (X 'Zg+)Hydrogen. J. Chem. Phys. 49,43 12 (1 968). R. B. Bernstein. New Experimental Challenges for the Theorist in Reaction Kinetics. Int. J. Quantum Chem. Symp. 3, 41 (1969). R. D. Levine and R. B. Bernstein. Simplistic Analysis of Reactive Scattering. Isr. J. Chem. 7 , 315 (1969). R. E. Olson and R. B. Bernstein. Inelastic Transition Probabilities and Their Role in Quenching of Glory Extrema in Atom-Diatomic Scattering. J. Chem. Phys. 50, 246 (1969). C. F. Curtiss and R. B. Bernstein. Molecular Collisions. 1X. Restricted Distorted-Wave Approximation for Rotational Excitation and Scattering of Diatomic Molecules. J. Chem. Phys. 50, 1168 (1969). R. D. Levine, B. R. Johnson, and R. B. Bernstein. Role of Potential Curve Crossing in Subexcitation Molecular Collisions: Exact (Two-State) Computations vs. Decoupling Approximation for Resonance Positions. J. Chem. Phys. 50, 1694 (1969). K. T. Gillen, C. Riley, and R. B. Bernstein. Reactive Scattering of K by HBr, DBr in Crossed Molecular and Beams: Angular and Velocity Distributions of KBr in Laboratory and c.m. System. J . Chem. Phys. 50,4019 (1969). R. E. Roberts, R. B. Bernstein, and C. F. Curtiss. Resonance Theory of Termolecular Recombination Kinetics: H2 + M. J. Chem. Phys. 50, 5163 H +H +M (1969). R. W. Fenstermaker, C. F. Curtiss, and R. B. Bernstein. Molecular Collisions. X. Restricted-Distorted-WaveBorn and First-Order Sudden Approximations for Rotational Excitation of Diatomic Molecules. J. Chem. Phys. 51, 2439 (1969). R. W. Bickes, Jr., and R. B. Bernstein. Crossed Beam Measurements of Differential Elastic Scattering of Ar by N2: Rainbow Effect and Intermolecular Potential Well Depth. Chem. Phys. Lett. 4, 11 1 (1969). J. T. Muckerman and R. B. Bernstein. Predicted Spectrum of Sub-threshold Rotational Compound State Resonances: p-H2-Xe and o-D2-Xe. Chem. Phys. Lett. 4, 183 ( I 969). M. E. Gersh and R. B. Bernstein. Calculated Total Elastic Scattering Cross Sections for H( IS) + H(1s)at Collision Energies below 1 eV. Chem. Phys. Lett. 4,221 (1969). T. J. P. OBrien and R. B. Bernstein. Investigation of the Hylleraas Method for Determining the Potential-Energy Function from the Phase Shift. J. Chem. Phys. 51, 51 12 (1969). R. J. Beuhler, Jr., and R. B. Bernstein. Crossed-Beam Study of the Reactive Asymmetry of Oriented Methyl
+ +
121.
122. 123. 124. 125. 126.
127.
128.
129.
130.
131.
132.
133.
134. 135.
136.
-
-
137.
138. 139.
+
140.
141.
142.
143.
144.
145.
146.
147.
148.
149.
150.
151. 152.
153.
154.
Iodide Molecules with Rubidium. J . Chem. Phys. 51, 5305 (1969). K. G. Anlauf, D. H. Maylotte, J. C. Polanyi, and R. B. Bernstein. Rates of the Endothermic Reactions HCl X (X = 1,Cl) as a Function of Reagent Vibration, Rotation, and Translation. J. Chem. Phys. 51,5716 (1969). A. S.Dickinson and R. B. Bernstein. Some Properties of Bound and Quasi-Bound States for Various Interatomic Potential Functions. Mol. Phys. 18, 305 (1970). J. T. Muckerman and R. B. Bernstein. Complete Partial-Wave Treatment of Compound-State (Rotational Excitation) Resonances in Subthreshold Scattering of an Atom by a Diatomic Molecule. J. Chem. Phys. 52, 606 (1970). R. J. LeRoy and R. B. Bernstein. Dissociation Energies of Diatomic Molecules from Vibrational Spacings of Higher Levels: Application to the Halogens. Chem. Phys. Lett. 5, 42 (1970). K. T. Gillen and R. B. Bernstein. Surface Ionization Detector Sensitive to Degree of Internal Excitation of Alkali Halides in Molecular Beams. Chem. Phys. Lett. 5, 275 (1970). R. J. LeRoy and R. B. Bernstein. Dissociation Energy and Long-Range Potential of Diatomic Molecules from Vibrational Spacings of Higher Levels. J. Chem. Phys. 52, 3869 (1970). R. W. Bickes, Jr., and R. B. Bernstein. A Versatile Molecular Beam Scattering Apparatus Utilizing Electron Bombardment Detection. Rev. Sci. Instrum. 41, 759 (1970). W. A. Lester, Jr., and R. B. Bernstein. Statistical Analysis of Transition Probability Matrices in the Strong Coupled Rotational Excitation Problem. J. Chem. Phys. 53, 11 (1 970). R. D. Levine and R. B. Bernstein. Opacity Analysis of Inelastic Molecular Collisions: Statistical Aspects of Rotational Excitation Theory. J . Chem. Phys. 53,686 (1970). R. E. Roberts and R. B. Bernstein. Rate Constant for Deuterium Atom Recombination Calculated by the Orbiting Resonance Theory. Chem. Phys. Lett. 6, 282 (1970). R. B. Bernstein. Inelastic Molecular Scattering at Low Energies. In Proceedings of the Santa Cruz Conference on Potential Energy Surfaces in Chemistry (1970); W. A. Lester, Jr., Ed.; IBM: San Jose, CA, 1971; p 27. R. J. LeRoy and R. B. Bernstein. Dissociation Energies and Long-Range Potentials of Diatomic Molecules from Vibrational Spacings: The Halogens. J. Mol. Spectrosc. 37, 109 (1971). M. D. Pattengill, C. F. Curtiss, and R. B. Bernstein. Molecular Collisions: XIV. First-Order Approximation of the Generalized Phase Shift Treatment of Rotational Excitation: Atom-Rigid Rotor. J. Chem. Phys. 54,2197 (1971). K. T. Gillen, A. M. Rulis, and R. B. Bernstein. Molecular Beam Study of the K + I2 Reaction: Differential Cross Section and Energy Dependence. J. Chem. Phys. 54, 2831 (1971). K. G. Anlauf, R. W. Bickes, Jr., and R. B. Bernstein. Angular Distribution of the Scattering of Ar by N2and Ne. J . Chem. Phys. 54,3647 (1971). R. J. LeRoy and R. B. Bernstein. Shape Resonances and Rotationally Predissociating Levels: The Atomic Collision Time-Delay Functions and Quasibound Level Properties of H2(X12,+). J. Chem. Phys. 54, 5114 (1971). M. D. Pattengill, C. F. Curtiss, and R. B. Bernstein. Molecular Collisions. XV. Classical Limit of the Generalized Phase Shift Treatment of Rotational Excitation: Atom-Rigid Rotor. J. Chem. Phys. 55, 3682 (1971). M. E. Gersh and R. B. Bernstein. Measurement of the
+
7968
The Journal of Physical Chemistry, Vol. 95, No. 21, 195'1
-
Energy Dependence of the Cross Section for the Reaction K + CH31 KI + CH3from 0.1-1 eV. J. Chem. Phys. 55, 4661 (1971). 155. R. A. La Budde and R. B. Bernstein. Classical Study of Rotational Excitation of a Rigid Rotor: Li+ H2. J . Chem. Phys. 55, 5499 (1971). 156. M. D. Pattengill, R. A. La Budde, R. B. Bernstein, and C.
+
F. Curtiss. Molecular Collisions. XVI. Comparison of GPS with Classical Trajectory Calculations of Rotational Inelasticity for the Ar-N2 System. J . Chem. Phys. 55, 5517 (1971). 157. R. D. Levine and R. B. Bernstein.
Collision-Induced Dissociation: A Simplistic Optical Model Analysis. Chem. Phys. Lett. 11, 552 (1971). 158. R. B. Bernstein. Potential Practical Applications of Basic Research in Molecular Dynamics. Isr. J. Chem. 9,615 (1971). 159. R. D. Levine and R. B. Bernstein. Post-Threshold Energy
Dependence of the Cross Section for Endoergic Processes: Vibrational Excitation and Reactive Scattering. J. Chem. Phys. 56, 2281 (1972). 160. A. S. Dickinson, R. E. Roberts, and R. B. Bernstein. Ion-Atom Association Reactions in the Rate Gases. J. Phys. B 5, 355 (1972). 161. M. E. Gersh and R. B. Bernstein. Translational Energy Dependence of the Reaction Cross Section for K + CH31 KI + CH3 from 0.1 to 1 eV (c.m.). J. Chem. Phys.
-
56, 6131 (1972). 162. R. B. Bernstein and R. D. Levine. Entropy and Chemical
Change. I. Characterization of Product (and Reactant) Energy Distributions in Reactive Molecular Collisions: Information and Entropy Deficiency. J . Chem. Phys.
tions. Faraday Discuss. Chem. SOC.55, 100 (1973). 173. R. B. Bernstein and A. M. Rulis. Translational Energy Dependence of Product Energy and Angular Distribution for the K CH31 Reaction. Faraday Discuss. Chem.
+
SOC.55, 293 (1973). 174. R. B. Bernstein. Doppler Broadening Effect on Collision
Cross Section Functions: Deconvolution of the Thermal Averaging. Comments At. Mol. Phys. 4, 43 (1973). 175. R. A. La Budde and R. B. Bernstein. Classical Study of Rotational Excitation of a Rigid Rotor: Li+ + H2. 11. Correspondence with Quantal Results. J . Chem. Phys. 59, 3687 (1973). 176. R. D. Levine and R. B. Bernstein. Analysis of Energy
Disposal: Thermodynamic Aspects of the Entropy Deficiency of a Product State Distribution. Chem. Phys. Lett. 22, 217 (1973). 177. M. S.Child and R. B. Bernstein. Diatomic Interhalogens: Systematics and Implications of Spectroscopic Interatomic Potentials and Curve Crossing. J. Chem. Phys. 59, 5916 (1973). 178. R. A. La Budde, P. J. Kuntz, R. B. Bernstein, and R. D. 179.
180.
181.
57, 434 (1972). 163. R. D. Levine and R. B. Bernstein. Dynamical Theory of
Vibrational State Population Distribution in Electronic-to-Vibrational Energy Transfer. Application to Hg*-Sensitized IR Fluorescence of Diatomics. Chem. Phys. Lett. 15, 1 (1972). 164. A. Ben-Shaul, R. D. Levine, and R. B. Bernstein. Product State Distribution in Exoergic Chemical Reactions and the Concept of Temperature. Chem. Phys. Lett. 15, 160
182.
183.
(1972). 165. J. D. Russell, R. B. Bernstein, and C. F. Curtiss. Transport
Properties of a Gas of Diatomic Molecules. VI. Classical Trajectory Calculations of the Rotational Relaxation Time of the Ar-N2 System. J . Chem. Phys. 57, 3304
184.
(1972). 166. J. A. Haberman, K. G. Anlauf, R. B. Bernstein, and F. J.
Levine. Classical Trajectory Study of the K + CH31 Reaction. J. Chem. Phys. 59, 6286 (1973). R. B. Bernstein. HeH+: Quasibound State Spectrum, Experimentally Derived Spectroscopic Constants, and Propensity for Rotational Excitation via Collision. Chem. Phys. Lett. 25, 1 (1974). A. M. Rulis, B. E. Wilcomb, and R. B. Bernstein. Molecular Beam Study of the K CF31Reaction: Detailed Differential Reactive Cross Section and Energy Disposal. J. Chem. Phys. 60, 2822 (1974). R. Kosloff, R. D. Levine, and R. B. Bernstein. Thermodynamic Functions of Molecular Hydrogen from ab initio Energy Levels. Mol. Phys. 27, 98 1 (1974); Erratum, ibid. 31, 323 (1976). C. Rebick, R. D. Levine, and R. B. Bernstein. Energy Requirements and Energy Disposal: Reaction Probability Matrices and a Computational Study of a Model System. J. Chem. Phys. 60,4977 (1974). R. W. Bickes, Jr., and R. B. Bernstein. The SimonsParr-Finlan Modified Dunham Expansion: A Generalized Potential Model for the Analysis of Differential Elastic Molecular Beam Scattering Cross Sections. Chem. Phys. Lett. 26, 457 (1974). H. E. Litvak, A. Gonzalez Urena, and R. B. Bernstein. Observed Translational Energy Dependence of the Cross Section for the Rb + CH31 RbI + CH3 Reaction from 0.12 to 1.6 eV (cam.). J. Chem. Phys. 61, 738 (1974). S. Stoke, A. E. Proctor, and R. B. Bernstein. Energy Dependence of the Branching Fraction and Cross Sections for the Decay of Collision Complexes: K + CsF, RbF. J . Chem. Phys. 61, 3855 (1974). H. E. Litvak, A. Gonzalez Urena, and R. B. Bernstein. Translational Energy Dependence of the Reaction Cross RbI + CH3 from 0.12 to 1.6 Section for Rb + CHJ eV (c.m.). J. Chem. Phys. 61, 4091 (1974). A. Gonzalez Urena and R. B. Bernstein. Products' Translational Energy and C. M. Angular Distribution vs. Collision Energy for the Rb + CHJ Reaction. J . Chem. Phys. 61, 4101 (1974). R. D. Levine and R. B. Bernstein. Branching Ratios in Reactive Molecular Collisions. Chem. Phys. Lett. 29,
+
-
Van Itallie. Primitive Product Angular Distributions for the Crossed Beam Reactions of Ba with NO2 and C12. Chem. Phys. Lett. 16, 442 (1972). 167. A. Ben-Shaul, R. D. Levine, and R. B. Bernstein. Entropy and Chemical Change. 11. Analysis of Product Energy Distributions: Temperature and Entropy Deficiency. J. Chem. Phys. 57, 5427 (1972). 168. A. M. Rulis and R. B. Bernstein. Molecular Beam Study of the K + CH31 Reaction: Energy Dependence of the Detailed Differential Reactive Cross Section. J. Chem. Phys. 57, 5497 (1972). 169. R. B. Bernstein and R. A. La Budde. On the Analysis of Glory Scattering Data for the Extraction of Information on the Interatomic Potential Well. J . Chem. Phys. 58,
185.
1109 (1973). 170. R. D. Levine, B. R. Johnson, and R. B. Bernstein. On the
1 (1974). 189. R. D. Levine and R. B. Bernstein. Molecular Reaction Dynamics; Clarendon Press: Oxford, 1974; Vol. VI, 250
Product Rotational State Distribution in Exoergic Atom-Diatom Molecule Reactions. Chem. Phys. Lett. 19, 1 (1973). 171. R. A. La Budde, P. J. Kuntz, R. B. Bernstein, and R. D.
Levine. Classical Trajectory Calculation of the Energy Dependence of the Total Reaction Cross Section for K + CH31 KI + CH3. Chem. Phys. Lett. 19,7 (1973). 172. R. D. Levine and R. B. Bernstein. Energy Disposal and Energy Requirements for Elementary Chemical Reac-
-
186.
187.
188.
-
PP.
190. R. B. Bernstein and R. D. Levine. The Relation between
Collinear and 3-DDynamical Calculations of Reactive Molecular Collisions. Chem. Phys. Lett. 29, 314 (1974). 191. R. B. Bernstein and R. D. Levine. Information-Theoretic Analysis of the Kinetic Intramolecular Isotope Effect for the F + HD Reaction. J . Chem. Phys. 61,4926 (1974). 192. A. Ben-Shaul, R. D. Levine, and R. B. Bernstein. Prior-
The Journal of Physical Chemistry, Vol. 95, No. 21, 1991 7969
193.
194. 195.
196.
197.
Expectation Distribution Functions for Energy Disposal and Energy Consumption in Reactive Molecular Collisions. J. Chem. Phys. 61, 4937 (1974). R. D. Levine and R. B. Bernstein. Energy Disposal and Energy Consumption in Elementary Chemical Reactions: The Information Theoretic Approach. Acc. Chem. Res. 7 , 393 (1974). A. Gonzalez Urena, R. B. Bernstein, and G. R. Phillips. Molecular Beam Reaction of the Van der Waals Clusters (CH31), with Alkalis. J. Chem. Phys. 62, 1818 (1975). S. Stolte, A. E. Proctor, and R. B. Bernstein. Influence of Reactant’s Rotational Energy upon the Branching Fraction for Reactive Decay of the CsF + K Collision Complex. J. Chem. Phys. 62, 2506 (1975). J. A. Haberman, B. E. Wilcomb, F. J. Van Itallie, and R. B. Bernstein. Formation of Supersonic Beams of Metastable Mercury, Hg(6)P0); Kinetics of Photoexcitation and Intramultiplet Quenching in a Nozzle. J . Chem. Phys. 62, 4466 (1975); Erratum, ibid. 63,2772 (1975). R. B. Bernstein. Note on the Polanyi-Woodall Equation for Rotational Relaxation. J. Chem. Phys. 62, 4570
(1975). 198. R. B. Bernstein and P. R. Certain. On the Observability
of Rotational and Vibrational Spectra of Isotopically Asymmetrized Homonuclear Diatomic Ions. Comments At. Mol. Phys. 5, 27 (1975). 199. R. B. Bernstein. Physical Chemistry. In Encyclopedia Britannica, Yearbook of Science and the Future, 1975; p 277. 200. E. E. A. Bromberg, A. E. Proctor, and R. B. Bernstein. Production of Rotationally, Vibrationally and Translationally Selected CsF Beams. J. Chem. Phys. 63, 3287
Hg
21 3.
214.
215.
216.
Molecular Scattering: An Information-Theoretic Approach. Adu. At. Mol. Phys. 11, 215 (1975). 204. R. B. Bernstein. Molecular Reaction Dynamics: Impact of Theory on Experiment. Zsr. J . Chem. 14,79 (1975). 205. R. D. Levine, R. B. Bernstein, P. Kahana, I. Procaccia, and E. T. Upchurch. Surprisal Analysis and Probability Matrices for Rotational Energy Transfer. J. Chem. Phys. Elastic and Electronically Inelastic Scattering of Br by Ground State I Atoms: Role of Potential Curve Crossing. J. Chem. Phys. 64,2971 (1976); Erratum, ibid. 68,2022 (1978). 207. B. E. Wilcomb, J. A. Haberman, R. W. Bickes, Jr., T. M.
208.
209. 210.
21 1.
Mayer, and R. B. Bernstein. Crossed Beam Study of the Rainbow Scattering of Hg by 12: Determination of the Binding Energy of the Hg.12 Adduct. J. Chem. Phys. 64, 3501 (1976). R. W. Bickes, Jr., K. R. Newton, J. M. Herrmann, and R. B. Bernstein. Utilization of an Arc-Heated Jet for Production of Supersonic Seeded Beams of Atomic Nitrogen. J. Chem. Phys. 64, 3648 (1976). M. B. Faist and R. B. Bernstein. Systematics of the Landau-Zener Rate Constant. J. Chem. Phys. 64, 394 (1976); Erratum, ibid. 66, 5831 (1977). R. D. Levine and R. B. Bernstein. Thermodynamic Approach to Collision Processes. In Modern Theoretical Chemisrry;W. H. Miller, Ed.; Plenum: New York, 1976; Vol. 11, p 323. B. E. Wilcomb, T. M. Mayer, R. B. Bernstein, and R. W. Bickes. Crossed Molecular Beam Measurement of the Intrinsic Activation Barrier for the Endoergic Reaction
+ I.
J. Am. Chem. SOC.98, 4676
of Ground State HgX Molecules (X I, Br, C1) from Analysis of Vibrational Level Spacings. J. Mol. Spectrosc. 62, 442 (1976). R. B. Bernstein. Information-Theoretic Analysis of Rotational Distributions from Quantal and Quasiclassical Computations of Reactive and Non-Reactive Scattering. Int. J . Quantum Chem. S10, 267 (1976). M. D. Pattengill and R. B. Bernstein. Surprisal Analysis of Classical Trajectory Calculations of Rotationally Inelastic Cross Sections for the Ar-N2 System. J. Chem. Phys. 65, 4007 (1 976). S. Stolte, A. E. Proctor, and R. B. Bernstein. Translational Energy Dependence of the Branching Fraction and Cross Sections for the Decay of Collision Complexes: K + CsF, RbF. J. Chem. Phys. 65,4990 (1976). R. B. Bernstein and M. B. Faist. Information Content of Detailed Differential Reaction Cross Sections (Molecular Beam Scattering Velocity-Angle Maps) vs. Resolved Product State Distributions. J. Chem. Phys. 65, 5436 Entropy: The Information Content of Molecular Scattering Angular Distribution. J. Chem. Phys. 66, 51 1
(1 977). 218. R. W. Bickes, Jr., and R. B. Bernstein. The SPF-Dunham
219.
220.
221.
222.
64, 796 (1976). 206. M. B. Faist and R. B. Bernstein. Computational Study of
Hgl
(1976). 217. M. B. Faist, R. D. Levine, and R. B. Bernstein. Angular
201. H. E. Litvak, M. E. Gersh, and R. B. Bernstein. Detection
(1975). 203. R. B. Bernstein and R. D. Levine. Role of Energy in
-
212. B. E. Wilcomb and R. B. Bernstein. Dissociation Energies
(1975).
of Fast Molecular Beams by Ion Ejection from a Surface. Chem. Phys. Lett. 36, 145 (1975). 202. R. B. Bernstein. Branching Ratios in Reactive Collisions: Theory vs. Experiment. Znt. J. Quantum Chem. S9,385
+ I2
(1976).
223.
Expansion for the Potential Well: A Regression Model for Systematic Analysis of Differential Beam Scattering Cross Sections. J. Chem. Phys. 66, 2408 (1977). S. Stolte, A. E. Proctor, W. M. Pope, and R. B. Bernstein. Rotational Energy Effect upon the Branching Fraction for Reactive Decay of the CsF + K Collision Complex. J. Chem. Phys. 66, 3468 (1977). S. A. Pace, H. F. Pang, and R. B. Bernstein. Translational Energy Dependence of the Rb + CH31 Reaction Cross Section: Evidence for a Minimum near 0.9 eV. J. Chem. Phys. 66, 3635 (1977). R. B. Bernstein. State-to-State Cross Sections and Rate Constants for Reactions of Neutral Molecules. In Proceedings of the Symposium on State-to-State Chemistry;ACS Symp. Ser. No. 56; American Chemical Society: Washington, DC, 1977; pp 3-21. T. M. Mayer, B. E. Wilcomb, and R. B. Bernstein. Crossed Molecular Beam Study of the Endoergic Reaction Hg + l2 HgI + I from Threshold to 2.6 eV (c.m.). J . Chem. Phys. 67, 3507-21 (1977). T. M. Mayer, J. T. Muckerman, B. E. Wilcomb, and R. B. Bernstein. Empirical Potential Energy Surface for the Hg + I2 Reaction. J. Chem. Phys. 67, 3522-29
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(1977). 224. R. L. Love, J. M. Herrmann, R. W. Bickes, Jr., and R. B.
Bernstein. Direct Observation of the Crossed Beam (Bimolecular) Reaction of Atomic Nitrogen with Halogens. J. Am. Chem. SOC.99, 8316-17 (1977). 225. R. B. Bernstein and B. E. Wilcomb. On the Products’ Translational Distribution for the Reactions of CH31and CF31 with K and Ba. J. Chem. Phys. 67, 5809-17 (1977). 226. S. Hayashi, T. M. Mayer, and R. B. Bernstein. Crossed
-
Beam Chemiluminescence Study of the Metastable Mercury Reaction: Hg(3Po) + Br2 HgBr(B) Br. Chem. Phys. Lett. 53, 419-22 (1978). 227. K. T. Wu, H. F.Pang, and R. B. Bernstein. Comparison of the Cross Sections for Reactions of Methyl Iodide with K and Rb. J . Chem. Phys. 68, 1064-69 (1978). 228. L. Zandee and R. B. Bernstein. Rotational Energy Effect upon the Branching Fraction for Reactive Decay of the RbF + K Collision Complex. J. Chem. Phys. 68,
+
3760-65 (1978). 229. K. R. Newton and R. B. Bernstein. Cryosorption-Pumped
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cw Chemical Laser. Appl. Phys. Lett. 33,47-49 (1978). 230. R. B. Bernstein. Reaction Dynamics by Molecular Beams. In Advances in Laser Chemistry; A. H. Zewail, Ed.; Springer-Verlag: Berlin, 1978; pp 384-97. 231. L. Zandee, R. B. Bernstein, and D. A. Lichtin. Vibronic/Mass Spectroscopy via Multiphoton Ionization of a Molecular Beam: The Iodine Molecule. J . Chem. Phys. 69, 3427-29 (1978). 232. R. B. Bernstein. Molecular Reaction Dynamics by the
Hieftje et al., Eds.; Humana Press: Clifton, NJ, 1981; pp 125-41. 249. D. H. Parker, R. B. Bernstein, and D. A. Lichtin. Multiphoton Ionization-Fragmentation Patterns of Tertiary Amines. J . Chem. Phys. 75, 2577-82 (1981). 250. D. A. Lichtin, R. B. Bernstein, and K. R. Newton. Experimental Appraisal of the Maximal-Entropy Theory of Multiphoton Ionization-Fragmentation: The Alternative Ionization Pathway Test. J. Chem. Phys. 75,
Crossed Molecular Beam Technique: A Few Recent Examples. Pure Appl. Chem. 50, 781-83 (1978). 233. H. F. Pang, K. T. Wu, and R. B. Bernstein. Crossed Molecular Beam Study of the Reactions of Methyl Bromide with Potassium and Rubidium. J. Chem. Phys.
5728-34 (1981). 251. D. H. Parker, K. K. Chakravorty, and R. B. Bernstein.
69, 5267-73 (1978). 234. L. Zandee and R. B. Bernstein. Laser Ionization Mass
( 1 982). 252. D. H. Parker and R. B. Bernstein. Multiphoton Ioniza-
Spectrometry: Extensive Fragmentation via Resonance-Enhanced Multiphoton Ionization of a Molecular Benzene Beam. J. Chem. Phys. 70, 2574-75 (1979). 235. E. Pollak and R. B. Bernstein. Note on the Products’ Translational Energy for the Reactions of CH3Br and CH31 with Rb and K. J. Chem. Phys. 70, 3995-96
tion-Fragmentation Patterns of Alkyl Iodides. J. Phys. Chem. 8 6 , 6 0 4 6 (1982). 253. R. B. Bernstein. Systematics of Multiphoton IonizationFragmentation of Polyatomic Molecules. J. Phys. Chem.
(1979). 236. R. B. Bernstein, Ed. Atom-Molecular Collision Theory:
Ionization-Time-of-Flight Mass Spectrometry of Transition Metal Complexes: Mn2(CO),o and Re,(CO),o. J. Am. Chem. SOC.104, 1830-34 (1982). 255. R. B. Bernstein. Chemical Dynamics via Molecular Beam and Laser Techniques; Oxford Univ. Press: London, 1982; Vol. 8, 262 pp. 256. K. K. Chakravorty, D. H. Parker, and R. B. Bernstein. Focusing, Rotational State Selection and Orientation of CH31 in a Seeded Supersonic Beam. Chem. Phys. 68,
A Guide for the Experimentalist; Plenum Press: New York, 1979; Vol. 20, 799 pp. 237. R. B. Bernstein. Introduction to Atom-Molecule Collisions: The Interdependency of Theory and Experiment. In Atom-Molecule Collision Theory; R. B. Bernstein, Ed.; Plenum Press: New York, 1979; pp 1-43. 238. L. Zandee and R. B. Bernstein. Resonance-Enhanced Multiphoton Ionization and Fragmentation of Molecular Beams. J . Chem. Phys. 71, 1359-71 (1979). 239. R. B. Bernstein. Reactive Scattering: Recent Advances in Theory and Experiment. Adv. At. Mol. Phys. 15, 167-203 (1 979). 240. R. B. Bernstein. State-to-State Chemistry via Molecular
Beams acd Lasers. In Dynamique RZactionelle des &tats ExcitZs; Ecole &et€ de Physique Thhrique, Les Houches, France, June 1979; R. Vetter, Ed.; C.N.R.S.: Paris, 1979; pp 161-224. 241. D. R. Coulter, F. R. Grabiner, L. M. Casson, G. W. Flynn, and R. B. Bernstein. Later Pumping of SF6 in the Collisional Region of a Nozzle Beam: Bolometric Detection of Internal Excitation. J . Chem. Phys. 73,281-91 (1 980). 242. D. A. Lichtin, S.Datta-Ghosh, K. R. Newton, and R. B.
Bernstein. Laser Multiphoton Ionization of a Timeof-Flight Mass Spectrometer: Vibronic/Mass Spectra of Triethylenediamine from 425 to 560 nm. Chem. Phys. Lett. 75, 214-19 (1980). 243. R. N. Zare and R. B. Bernstein. State-testate Reaction Dynamics. Phys. Today 33, 43-51 (1980). 244. K. R. Newton, D. A. Lichtin, and R. B. Bernstein. TwoColor Laser Study of the Multiphoton Ionization and Fragmentation of Triethylenediamine. J. Phys. Chem. 85, 15-17 (1981). 245. D. H. Parker, K. K. Chakravorty, and R. B. Bernstein. Reactive Asymmetry of Methyl Iodide. The CrossedBeam Reaction of Oriented CH31 with Rb. J. Phys. Chem. 85, 466-68 (1981). 246. E. Zamir, R. D. Levine, and R. B. Bernstein. The Practice of Surprisal Inference: Products’ State Distribution in
the Chemiluminescent Ion-Molecule Reaction of C+ + H2. Chem. Phys. 55, 57-66 (1981). 247. M. I. Lester, D. R. Coulter, L. M. Casson, G. W. Flynn, and R. B. Bernstein. Laser Excitation of SF6 in a Transparent Nozzle Beam: Collision-Assisted Absorption and Up-Pumping. J. Phys. Chem. 85,751-53 (1981). 248. D. A. Lichtin, L. Zandee, and R. B. Bernstein. Potential Analytical Aspects of Laser Multiphoton Ionization Mass Spectrometry. In Lasers and Chemical Analysis; G . M.
Crossed Beam Reaction of Oriented Methyl’Iodide with Rubidium: Steric Factor and Reactive Asymmetry versus Scattering Angle. Chem. Phys. Lett. 86, 113-17
86, 1178-84 (1982). 254. D. A. Lichtin, R. B. Bernstein, and V. Vaida. Multiphoton
1-12 (1982). 257.
S.Stolte, K. K. Chakravorty, R. B. Bernstein, and D. H.
Parker. Analysis of the Steric Dependence of the CH31 + Rb Reaction Using a Legendre Expansion Technique. Chem. Phys. 71, 353-61 (1982). 258. M. M. Oprysko, F. J. Aoiz, M. A. McMahan, and R. B. Bernstein. The Reaction Hg I2 HgI + I Revisited. J . Chem. Phys. 78, 3816-31 (1983). 259. D. A. Lichtin, D. W. Squire, M. A. Winnik, and R. B. Bernstein. Multiphoton Ionization Mass Spectrometric Studies of a Bichromophoric Molecule: 3-Phenyl- 1(N,N-dimethy1amino)propane. J. Am. Chem. SOC.105,
+
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2109-17 (1983). 260. D. W. Squire, M. P. Barbalas, and R. B. Bernstein.
Comparison of Multiphoton Ionization-Fragmentation Behavior of Benzene, Fluorobenzene and Toluene. J . Phys. Chem. 87, 1701-07 (1983). 261. K. R. Newton and R. B. Bernstein. Multiphoton Ionization and Fragmentation Pathways of Benzene, Fluorobenzene and tert-Butylbenzene. J. Phys. Chem. 87, 2246-55 (1983). 262. F. J. Aoiz, M. M. Oprysko, and R. B. Bernstein. Argon
Ion Laser Excitation of Supersonic Seeded Beams of Iz. Chem. Phys. 79, 321-39 (1983). 263. M. M. Oprysko, F. J. Aoiz, R. B. Bernstein, and M. A. McMahan. Search for the Laser-Induced Crossed Beam Reaction of Excited Iz(B3n,) with Hg. Chem. Phys. 79, 341-50 (1983). 264. M. I. Lester, L. M. Casson, G. B. Spector, G. W. Flynn,
and R. B. Bernstein. Collisional Effects on the Internal and Translational Energy Distributions of Laser-Excited and Thermally Heated SF6Supersonic Beams. J. Chem. Phys. 80, 1490-1505 (1984). 265. R. D. Levine and R. B. Bernstein. Opacity Analysis of Steric Requirements in Elementary Chemical Reactions. Chem. Phys. Lett. 105, 467-71 (1984). 266. E. Zamir, R. D. Levine, and R. B. Bernstein. Vibrational and Rotational Energy Disposal in the H + D2 Reaction: Surprisal Analysis of Experiments and Computations at 1.3 eV. Chem. Phys. Lett. 107, 217-221 (1984). 267. K. K. Chakravorty and R. B. Bernstein. Energy Parti-
The Journal of Physical Chemistry, Vol. 95, NO. 21, 1991 7971 tioning in the Reactions of Barium Atoms with Normal and Branched Alkyl Iodides and Dibromoalkanes. J . Phys. Chem. 88, 3465-72 (1984). 268. D. W. Squire and R. B. Bernstein. Multiphoton Ionization Mass Spectrometric Study of Toluene Clusters in a Pulsed Nozzle Beam Time-of-Flight Apparatus. J. Phys. Chem. 88,4944-52 (1984). 269. N. C. Blais, R. B. Bernstein, and R. D. Levine. Orientation Dependence of the H D2 Reaction Cross Section: Steric Model vs. Trajectory Calculations. J. Phys. Chem.
Dynamics and Chemical Reactivity; Oxford Univ. Press: London, 1987; Vol. 12, 535 pp. 287. N. F. Scherer, L. R. Khundkar, R. B. Bernstein, and A. H. Zewail. Real-Time Picosecond Clocking of the Collision Complex in a Bimolecular Reactions: The Birth of O H from H C02. J. Chem. Phys. 87, 1451-53
89, 10-13 (1985). 270. G . T. Evans, R. S.C. She, and R. B. Bernstein. A Simple
289. S . R. Gandhi, Q.-X. Xu, T. J. Curtiss, and R. B. Bernstein.
+
Kinetic Theory Model of Reactive Collisions of Rigid Nonspherical Molecules. J. Chem. Phys. 82, 2258-66 (1985). 27 1. R. B. Bernstein. Analysis of the Experimental Orientation
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272.
273.
274.
275.
276.
277. 278.
Dependence of the Reaction CHJ + Rb RbI + CH3. J. Chem. Phys. 82, 3656-58 (1985). S. E. Choi and R. B. Bernstein. Orientational Opacity Function for the Steric Cone of CHJ + Rb Reactive Backscattering: The Steric Cone of Nonreaction. J . Chem. Phys. 83,4463-69 (1985). R. B. Bernstein. Orientation Dependence of Reactivity of Methyl Iodide with Rubidium: A Status Report. In Recent Advances in Molecular Reaction Dynamics; R. Vetter and J. ViguE, Eds.; Editions du C.N.R.S.: Paris, 1986; pp 51-58. R. S. C. She, G. T. Evans, and R. B. Bernstein. A Simple Kinetic Theory Model for Reactive Collisions. 11. Non-Rigid Spherical Potential with Angle-Dependent Reactivity. J. Chem. Phys. 84, 2204-1 1 (1986). S. E. Choi and R. B. Bernstein. Theory of Oriented Molecule Beams: Precession, Degree of Orientation and Photofragmentation of Rotationally State-Selected Molecules. J. Chem. Phys. 85, 150-61 (1986). J. F. Garvey and R. B. Bernstein. Observation of 'Intramolecular" Ion-Molecule Reactions within Ionized Clusters: The Methyl Fluoride System. Chem. Phys. Lett. 126, 394-98 (1986). S. R. Gandhi and R. B. Bernstein. Influence of the Focal Length of the Laser Beam Focusing Lens on MPI Yield. Chem. Phys. 105,423-34 (1986). Y. Jiang, M. R. Giorgi-Arnazzi, and R. B. Bernstein. Concurrent Photodissociation and Multiphoton Ionization Processes in CH31from 366-307 nm. Chem. Phys. 106,
171-78 (1986). 279. R. B. Bernstein and A. H. Zewail. Chemical Reaction 280.
281.
282.
283. 284.
Dynamics and Marcus' Contributions. J. Phys. Chem. 90, 3467-69 (1986). J. F. Garvey and R. B. Bernstein. Observation of 'Intramolecular" Ion-Molecule Reactions within Ionized Clusters: The Methyl Halide Systems. J. Phys. Chem. 90, 3577-83 (1986). J. F. Garvey and R. B. Bernstein. Observation of "Intramolecular" Ion-Molecule Reactions within Ionized Hetero-Clusters of Methyl Chloride-Acetone, J. Am. Chem. SOC.108, 6096-98 (1986). S. R. Gandhi, T. J. Curtiss, Q.-X. Xu, S.E. Choi, and R. B. Bernstein. Oriented Molecule Beams: Pulsed, Focused Beams of Methyl Halides in Pure JKM Rotational States. Chem. Phys. Lett. 132, 6-10 (1986). R. D. Levine and R. B. Bernstein. Rotational State Dependence of the Reactivity of Oriented Symmetric-Top Molecules. Chem. Phys. Lett. 132, 11-15 (1986). N. C. Blais and R. B. Bernstein. Classical Trajectory Study of the Orientation Dependence of the Reaction CHJ + K KI + CH3. J. Chem. Phys. 85,7030-37 (1986). J. F. Garvey and R. B. Bernstein. Observation of "Intramolecular" Ion-Molecule Reactions within Ionized Clusters: Hetero System Involving Methyl Halides and Oxygen-Containing Compounds. J. Am. Chem. SOC. -+
285.
109, 1921-34 (1987). 286. R . D. Levine and R. B. Bernstein. Molecular Reaction
(1 987).
+
288. R. B. Bernstein, D. R. Herschbach, and R. D. Levine.
Dynamical Aspects of Stereochemistry. J. Phys. Chem. 91, 5365-77 (1987).
Oriented Molecule Beams: Focused Beams of Rotationally Cold Polar Polyatomic Molecules. J. Phys. Chem. 91, 5437-41 (1987). 290. I. Schechter, R. D. Levine, and R. B. Bernstein. The Polar Representation of the (Relaxed) Potential Energy Function: The Reaction Plane and the Cone of Reaction. J. Phys. Chem. 91, 5466-71 (1987). 291. S. R. Gandhi and R. B. Bernstein. Focusing and State Selection of NH3 and OCS by the Electrostatic Hexapole via First- and Second-Order Stark Effects. J. Chem. Phys. 87, 6457-67 (1987). 292. S. R. Gandhi, T. J. Curtiss, and R. B. Bernstein. Asymmetry of the Polarized-Laser Induced Photofragmentation of Oriented CHJ Molecules. Phys. Rev. Lett. 59, 2951-54 (1987). 293. J. F. Garvey and R. B. Bernstein. Solvated NH5+ Formed 294.
295.
296.
297.
298.
within Ionized Clusters of Ammonia and AmmoniaBenzene. Chem. Phys. Lett. 143, 13-18 (1988). S. R. Gandhi and R. B. Bernstein. Experimental Determination of the Direction of the Electric Dipole Moment of CF31 by the Oriented Molecule Technique. J. Chem. Phys. 88, 1472-73 (1988). R. B. Bernstein. Selectivity in Elementary Chemical Reactions. In Selectivity in Chemical Reactions; J. C. Whitehead, Ed., NATO Advanced Research Workshop, Bowness-on-Windemere, U.K., Sept 1987; D. Reidel: Dordrecht, Holland, 1988; pp 1-22. S. R. Gandhi and R. B. Bernstein. Hexapole Focusing and Orientation of HCl and HBr via Their Hydrogen-Bonded Complexes with Benzene. Chem. Phys. Lett. 143,332-36 (1988). Q.-X. Xu, K.-H. Jung, and R. B. Bernstein. Oriented Molecule Beams: Focusing and Orientation of &Butyl Iodide with Analysis by Polarized Laser photofragmentation. J. Chem. Phys. 89, 2099-2106 (1988). A. H. Zewail and R. B. Bernstein. Real-Time Femtochemistry. Kaguku To Kogyo (Tokyo) 41, 298-306
(1 988). 299. A. H. Zewail and R. B. Bernstein.
300.
301. 302.
303. 304.
305. 306.
Real-Time Laser Femtochemistry: Viewing the Transition from Reagents to Products. Chem. Eng. News. 66 (45), 2 4 4 3 (1988). S. R. Gandhi and R. B. Bernstein. Polarized Laser-Induced Photofragmentation Studies of JKM-Selected CHJ Molecules: Retention of Orientation in Optical and DC Electric FIelds. Z . Phys. 10, 179-85 (1988). R. D. Levine and R. B. Bernstein. Dynamical Stereochemistry of Activationless Bimolecular Reactions of Ions and Neutrals. J. Phys. Chem. 92, 6954-58 (1988). R. B. Bernstein and A. H. Zewail. Femtosecond Real-Time Probing of Reactions. 111. Inversion to the Potential from Femtosecond Transition-State Spectroscopy Experiments. J. Chem. Phys. 90, 829-42 (1989). R. B. Bernstein and R. D. Levine. Alignment Due to Long-Range Intermolecular Forces Can Enhance Reactive Asymmetry. J . Phys. Chem. 93, 1687-88 (1989). R. B. Bernstein. Molecular Beams in Chemistry: A Subjective Account. Proc. Welch Conf. Chem. Res. XXXII, Valency, Houston, 157-97 (1989). R. B. Bernstein. Valence Formation in Chemical Dynamics. In Proceedings of the Welch Conference on Chem. Research XXXII, Valency, Houston, 1989; pp 221-55. T. J. Curtiss and R. B. Bernstein. Steric Effect in the
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307.
308.
309.
310.
311. 312.
313.
314.
315.
316.
Scattering of Oriented CH3F Molecules by Graphite (0001). Chem. Phys. Lerr. 161, 212-18 (1989). Q.-X. Xu, M. A. Quesada, K.-H. Jung, R. S. Mackay, and R. B. Bernstein. Oriented Molecule Beams: Focusing and Orientation of t-Butyl Bromide with Analysis by Polarized Laser Photofragmentation. J . Chem. Phys. 91, 3477-82 (1989). D. H. Parker and R. B. Bernstein. Oriented Molecule Beams via the Electrostatic Hexapole: Preparation, Characterization and Reactive Scattering. Annu. Reu. Phys. Chem. 40, 561-95 (1989). R. B. Bernstein, S. E. Choi, and S. Stolte. Determination of Molecular Orientation and Alignment from Polarized Laser Photofragmentation Measurements: Oriented CH31 Molecule Beams. J. Chem. SOC.,Faraday Trans. 2 8 5 (8), 1097-1113 (1989). R. B. Bernstein and R. D. Levine. The Reorientation Effect: Induced Alignment Can Enhance Reactive Asymmetry in Oriented Molecule Reactions. J. Chem. SOC.,Faraday Trans. 2 85 (8), 261-63 (1989). R. D. Levine and R. B. Bernstein. The Elementary Act of Chemical Creation, A Citation Classic Commentary. Curr. Contents 29, 14 (1989). S. E. Choi and R. B. Bernstein. Negligible Nuclear Spin Relaxation Concurrent with Extensive Rotational Cooling in Jet Expansions of Methyl Halides, from Analysis of Hexapole Focusing. Isr. J. Chem. 29,497-504 (1989). R. S. Mackay, T. J. Curtiss, and R. B. Bernstein. Determination of Preferred Orientation for Sticking of Polar Molecules in Beams Incident on a Graphite (0001) Surface. Chem. Phys. Lett. 164, 341-44 (1989). R. B. Bernstein and A. H. Zewail. From Femtosecond Temporal Spectroscopy to the Potential by a Direct Classical Inversion Method. Chem. Phys. Lett. 170, 321-328 (1990). S. R. Gandhi and R. B. Bernstein. Molecular Orientation Control for IJKM,)-Selected CHJ via Influence of Electric Field on Nuclear Hyperfine Coupling. J. Chem. Phys. 90, 4024-4032 (1990). R. S.Mackay, T.J. Curtiss, and R. B. Bernstein. Strong Orientation Dependence of the Scattering of Fluoroform by Graphite (0001). J. Chem. 1Phys. 92, 801-802 (1990).
317. N . F. Scherer, C. C. Sipes, R. B. Bernstein, and A. H. Zewail. Real-Time Clocking of Bimolecular Reactions: Application to H + COz. J. Chem. Phys. 92,5239-5259 (1990). 318. T. J. Curtiss, R. S. Mackay, and R. B. Bernstein. Steric Effect in the Scattering of Hexapole-Oriented Beams of Symmetric-Top Molecules by Graphite(0001). J . Chem. Phys. 93, 7387-7405 (1990). 319. S. 1. Ionov, M. E. LaVilla, R. S. Mackay, and R. B. Bernstein. Surface Temperature Dependence of the Steric Effect in the Scattering of Oriented tert-Butyl Chloride and Fluoroform Molecules by Graphite(0001). J . Chem. Phys. 93, 7406-7415 (1990). 320. S. I. Ionov, M. E. LaVilla, and R. B. Bernstein. Orientational Dependence of the Translational Energy Transfer in the Scattering of Oriented Fluoroform and fer?-Butyl Chloride Molecules by a Graphite(0001) Surface. J . Chem. Phys. 93, 7416-7426 (1990). 321. S. I. Ionov and R. B. Bernstein. Hard-Cube Analysis of the Steric Effect in Molecule-Surface Scattering: J . Chem. Phys. 94, 1564-1571 (1991). 322. Q.-X. Xu, R. S. Mackay, F. J. Aoiz, M. A. Quesada, P. J. Grunberg, and R. B. Bernstein. Measurement of the Translational Energy Dependence of the Cross Section for the Reaction of Sr CH31 SrI + CH3 from 0.1-1.0 eV. Chem. Phys. Lett. 176, 499-503 (1991). 323. R. S. Mackay, Q.-X. Xu, F. J. Aoiz, and R. B. Bernstein. Dependence of the Reaction Cross Section on the Collision Energy in Reactions of Sr + RX SrX + R (R = C2HS,n-C3H7,t-CdH,; X = Br, I): Effect of the Alkyl Group. J . Phys. Chem., this issue. 324. 1. V. Ionova, S. I. Ionov, and R. B. Bernstein. An Image Charge Model for the Classical Trajectory Simulations of Molecule-Surface Scattering: Steric Effects in the Scattering of CHF3 on Graphite (0001). J . Phys. Chem., this issue. 325. V. A. Cho and R. B. Bernstein. On Tight Focusing of Beams of Polar Polyatomic Molecules via the Electrostatic Hexapole Lens. J. Phys. Chem., this issue. 326. D. B. Whitehouse, A. D. Buckingham, R. B. Bernstein, V. A. Cho, and R. D. Levine. The Orientation Dependence of the Induction Contribution in Molecule-Graphite Interactions. J . Phys. Chem., this issue.
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