Advances in molecular vibrations and collision dynamics : a research annual

著者

• Bowman, J. M. (Joel M.)
• Ratner, Mark A.

書誌事項

Advances in molecular vibrations and collision dynamics : a research annual

series editor, Joel M. Bowman

JAI Press, c1991-

• 1 set
• 1A
• 1B
• 2 set
• 2A
• 2B
• 3

タイトル別名

Advances in molecular vibrations and collision dynamics

注記

Includes bibliographical references and index

v. 1A, 1B: Volume coeditors: Joel M. Bowman, Mark A. Ratner

v. 2: TR: Advances in molecular vibrations and collision dynamics

内容説明・目次

巻冊次

2A ISBN 9781559387057

内容説明

This volume covers such topics as the S-matrix version of the Kohn variational principle for quantum scattering theory of chemical reactions and isoparametric finite elements on hyperspheres.

目次

• S-matrix version of the Kohn variational principle for quantum scattering theory of chemical reactions, William H. Mille
• isoparametric finite elements on hyperspheres, Jan Linderberg and Yngve Ohrn
• review of the current status and future prospects for the bending-corrected rotating, E.F. Hayes, P. Pendergast and R.B. Walker
• variational treatments of reactive scattering - application of negative imaginary absorbing potentials and contracted L2 basis sets to calculate S-matrix elements, Isidore Last and Michael Baer
• choosing body-fixed axes in arrangement channels approaches to reactive scattering, Russel T. Pack
• dynamics on reactive potential energy surfaces - the hyperspherical view, Vincenzo Aquilanti, Simonetta Cavalli, and Gaia Grossi
• the effect of vibrational adiabaticity on 3D properties of the Cl HC1 reaction, Antonio Lagana, Antonio Aguilar, Xavier Gimenez and Jose M. Lucas
• four atom reactions, David C. Clary and Julian Echave
• effects of potential energy surface topography and isotope substitution in atom-diatom chemical reactions - the Cl +H2 and D +H2 systems, Shoji Takada, Ken-ichiro Tsuda, Myodaji, Akihiko Ohsaki, and Hiroki Nakamura.

巻冊次

2B ISBN 9781559387064

内容説明

This volume covers such topics as the time-dependent wave packet approach to reactive scattering using arrangement decoupling absorbing potentials and the linear algebraic formulation of reactive scattering with general basis functions.

目次

• A quantum scattering study of the C1 HC1 C1H H reaction - centrifugal sudden hyperspherical differential and integral cross sections, product distributions, and rate coeffecients, George C. Schatz, D. Sokolovski and J.N.L. Connor
• time dependent wavepacket approach to reactive scattering using arrangement decoupling absorbing potentials, Daniel Neuhauser, Richard S. Judson, Michael Baer and Donald J. Kouri
• linear algebraic formulation of reactive scattering with general basis functions, Gregory J. Tawa, Steven L. Mielke, Donald G. Truhlar and David W. Schwenke
• a new look at symmetrized hyperspherical coordinates, Aron Kuppermann
• reduced dimensionality quantum approaches to tetra-atomic reactive scattering, Joel M. Bowman and Desheng Wang.

巻冊次

3 ISBN 9781559387903

内容説明

This volume focuses on molecular clusters, bound by van der Waals interactions and hydrogen bonds. Twelve chapters review a wide range of recent theoretical and experimental advances in the areas of cluster vibrations, spectroscopy, and reaction dynamics. The authors are leading experts, who have made significant contributions to these topics. The first chapter describes exciting results and new insights in the solvent effects on the short-time photo fragmentation dynamics of small molecules, obtained by combining heteroclusters with femtosecond laser excitation. The second is on theoretical work on effects of single solvent (argon) atom on the photodissociation dynamics of the solute H2O molecule. The next two chapters cover experimental and theoretical aspects of the energetics and vibrations of small clusters. Chapter 5 describes diffusion quantum Monte Carlo calculations and non additive three-body potential terms in molecular clusters. The next six chapters deal with hydrogen-bonded clusters, reflecting the ubiquity and importance of hydrogen-bonded networks. The final chapter provides the microscopic theory of the dynamics and spectroscopy of doped helium cluster, highly quantum systems whose unusual properties have been studied extensively in the past couple of years.

目次

List of contributors. Preface (Z. Ba i , J.M. Bowman). Molecular clusters: real-time dynamics and reactivity (J.A. Syage, A.H. Zewail). Energetics and dynamics of argon-water photodissociation (K.M. Christoffel, J.M. Bowman). Interactions between CN radicals and rare gas atoms: collisions, clusters, and matrices (M.C. Heaven et al.). Vibrational spectroscopy of small size-selected clusters (U. Buck). Quantum Monte Carlo vibrational analysis and three-body effects in weakly bound clusters (C.E. Dykstra). Vibration-rotation-tunneling dynamics of (HF)2 and (HCL)2 from full-dimensional quantum bound-state calculations (Z. Ba i , Y. Qiu). Spectroscopy and quantum dynamics of hydrogen fluoride clusters (M. Quack, M.A. Suhm). The infrared spectroscopy of hydrogen-bonded clusters: chains, cycles, cubes, and three-dimensional networks (T.S. Zwier). Ab initio characterization of water and anion-water clusters (S.S. Xantheas, T.H. Dunning, Jr.). Diffusion Monte Carlo studies of water clusters (J.K. Gregory, D.C. Clary). Rearrangements and tunneling in water clusters (D.J. Wales). Spectroscopy and microscopic theory of doped helium clusters (K.B. Whaley). Index.

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詳細情報

• NII書誌ID(NCID): BA22926512
• ISBN:
  • 1559382937
  • 1559382945
  • 1559382953
  • 1559385472
  • 155938705X
  • 1559387068
  • 1559387904
• 出版国コード: us
• タイトル言語コード: eng
• 本文言語コード: eng
• 出版地: Greenwich, Conn.
• ページ数/冊数: v.
• 大きさ: 24 cm