Generalization Of The Activated Complex Theory Of Reaction Rates I Quantum Mechanical Treatment
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Introduction To Marcus Theory Of Electron Transfer Reactions
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Author : Francesco Di Giacomo
language : en
Publisher: World Scientific
Release Date : 2020-03-19
Introduction To Marcus Theory Of Electron Transfer Reactions written by Francesco Di Giacomo and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-03-19 with Science categories.
This book, with a foreword from Nobel Laureate Rudolph A Marcus, aims at introducing the reader to the Marcus theory of electron transfer reactions from a reading of excerpts of Marcus' papers. Notes from the author may be of help to the student or the beginner. Marcus' notes at the end of each paper, with his comments and remarks, are an invaluable supplement to his articles for students and scholars in the field of electron transfer reactions.
Generalization Of The Activated Complex Theory Of Reaction Rates I Quantum Mechanical Treatment
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Author :
language : en
Publisher:
Release Date : 1964
Generalization Of The Activated Complex Theory Of Reaction Rates I Quantum Mechanical Treatment written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1964 with categories.
In its usual form activated complex theory assumes a quasi-equilibrium between reactants and activated complex, a separable reaction coordinate, a Cartesian reaction coordinate, and an absence of interaction of rotation with internal motion in the complex. In the present paper a rate expression is derived without introducing the Cartesian assumption. The expression bears a formal resemblance to the usual one and reduces to it when the added assumptions of the latter are introduced. The new equation for the transmission coefficient contains internal centrifugal terms. The derivation employs an extension of the Stackel-Robertson formalism for separation of variables in mechanics. The fourth assumption can also be weakened and a rotational interaction included in the formalism. In applications of the rate equation use is made of the recent findings that in the immediate vicinity of a saddle-point or a minimum a potential energy surface can be imitated in some major topographical respects by a surface permitting separation of variables. The separated wave equation for the reaction coordinate is then curvilinear because of the usual curvature of the path of steepest ascent to the saddle-point. Calculations of transmission coefficients and rates can be made and compared with those obtainable from the usual one-dimensional Cartesian-like calculations on the one hand and with some based on the numerical integration of the n-dimensional Schrodinger equation on the other. An application to a common three-center problem is discussed.
Molecular Spectroscopy And Quantum Dynamics
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Author : Roberto Marquardt
language : en
Publisher: Elsevier
Release Date : 2020-09-18
Molecular Spectroscopy And Quantum Dynamics written by Roberto Marquardt and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-09-18 with Science categories.
Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field. - Contains new insights into the quantum dynamics and spectroscopy of electronic and nuclear motion - Presents the most recent developments in the detection and interpretation of ultra-fast phenomena - Includes a discussion of the importance of these phenomena for the understanding of chemical reaction dynamics and kinetics in relation to molecular spectra and structure
Nuclear Science Abstracts
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Author :
language : en
Publisher:
Release Date : 1976
Nuclear Science Abstracts written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1976 with Nuclear energy categories.
Annual Report Brookhaven National Laboratory
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Author : Brookhaven National Laboratory
language : en
Publisher:
Release Date : 1964
Annual Report Brookhaven National Laboratory written by Brookhaven National Laboratory and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1964 with categories.
Science Abstracts
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Author :
language : en
Publisher:
Release Date : 1965
Science Abstracts written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1965 with Physics categories.
Faculty Publications And Doctoral Dissertations
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Author : University of Illinois at Urbana-Champaign
language : en
Publisher:
Release Date : 1963
Faculty Publications And Doctoral Dissertations written by University of Illinois at Urbana-Champaign and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1963 with categories.
Current Technical Papers
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Author :
language : en
Publisher:
Release Date : 1965
Current Technical Papers written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1965 with Science categories.
Dynamics Of Molecules And Chemical Reactions
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Author : Robert Wyatt
language : en
Publisher: CRC Press
Release Date : 1996-06-27
Dynamics Of Molecules And Chemical Reactions written by Robert Wyatt and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996-06-27 with Science categories.
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.
Nuclear Science Abstracts
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Author :
language : en
Publisher:
Release Date : 1964
Nuclear Science Abstracts written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1964 with Nuclear energy categories.