Dynamics of Molecules and Chemical Reactions - R. Wyatt, J. Zhang (Marcel Dekker, 1996) WW.djvu

Covers both molecular and reaction dynamics. The work presents important theroetical and computational approaches to the study of energy transfer within and between molecules, discussing the application of these approaches to problems of experimental interest. It also describes time-dependent and time-independent methods, variational and perturbative techniques, iterative and direct approaches, and methods based upon the use of physical grids of finite sets of basic function. Covering Both Intramolecular And Reaction Dynamics, This Comprehensive And Up-to-date Reference/text Presents The Most Important Theoretical And Computational Approaches To The Study Of Energy Transfer Within And Between Molecules - Discussing The Application Of These Approaches To Problems Of Current Experimental Interest. Containing Authoritative Contributions From Over 30 Leading Experts In Their Respective Fields, Dynamics Of Molecules And Chemical Reactions Details Modern Methodologies In Chemical Dynamics That Will Form The Basis For Future Applications In The Field...deals With Intra- And Intermolecular Dynamics And Spectroscopy...describes Time-dependent And Time-independent Methods, Variational And Perturbative Techniques, Iterative And Direct Approaches, And Methods Based Upon The Use Of Physical Grids Or Finite Sets Of Basis Functions...examines Quantum, Semiclassical, And Classical Approaches To Reaction Dynamics...furnishes Helpful Introductory Material At The Opening Of Each Chapter...elucidates Activated Rate Processes...and More. Providing Over 1640 Timesaving Citations To Key Sources In The Literature As Well As More Than 1850 Useful Tables, Equations, And Drawings, Dynamics Of Molecules And Chemical Reactions Is An Indispensable Reference For Physical, Theoretical And Computational, Surface, And Colloid Chemists And Physicists, As Well As A Vital Text For Upper-level Undergraduate And Graduate Students And Researchers In These Disciplines.--book Jacket. Spectra, Rates, And Intramolecular Dynamics / Françoise Remacle And Raphael D. Levine -- Quantum Mechanical Studies Of Molecular Spectra And Dynamics / Robert E. Wyatt And Christophe Iung -- Picturing Quantized Intramolecular Vibrational Energy Flow : Action Diffusion, Localization, And Scaling / Sarah A. Schofield And Peter G. Wolynes -- Canonical Van Vleck Perturbation Theory And Its Application To Studies Of Highly Vibrationally Excited States Of Polyatomic Molecules / Anne B. Mccoy And Edwin L. Sibert Iii -- Quantum Molecular Dynamics On Grids / Ronnie Kosloff --time-dependent Quantum Dynamics For Gas-phase And Gas-surface Reactions / Dong H. Zhang And John Z.h. Zhang -- New Methods For Use In Scattering Calculations : The Spectral Projection Method And The Stabilization Method / Vladimir A. Mandelshtam And Howard S. Taylor -- Time-independent Wave-packet-distributed Approximating Functional Approach To Quantum Dynamics / Donald J. Kouri, Youhong Huang, And David K. Hoffman -- Computational Spectroscopy Of The Transition State / David C. Chatfield ... [et Al.] -- Beyond Transition State Theory : Rigorous Quantum Approaches For Determining Chemical Reactions Rates / William H. Miller -- The Geometric Phase In Reaction Dynamics / Aron Kuppermann -- Nonadiabatic Transitions : Beyond Born-oppenheimer / Hiroki Nakamura -- Application Of Semiclassical Dynamics To Chemical Reactions / Gert D. Billing, N. Balakrishnan, And Nikola Marković -- Nonlinear Classical Dynamics And Unimolecular Reactions / John S. Hutchinson -- The Classical Trajectory Approach To Reaction Dynamics / Howard R. Mayne -- Theory Of Activated Rate Processes / Eli Pollak. Edited By Robert E. Wyatt, John Z.h. Zhang. Includes Bibliographical References And Index. Covers molecular and reaction dynamics. This work presents important theoretical and computational approaches to the study of energy transfer within and between molecules, discussing the application of these approaches to problems of experimental interest.