
Theoretical Chemistry Advances and Perspectives V3
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Theoretical Chemistry: Advances and Perspectives, Volume 3 compiles studies that review all aspects of theoretical chemistry. This book begins by discussing the developments which have made the ab initio investigation of molecular ions feasible, followed by a treatment on classical equilibrium thermodynamics. The significant structure theory of liquids, structure of fluid 4He by means of zero and nonzero temperatures, and radial distribution function are also considered. This volume concludes with a description on various types of proton transfer reactions in water, explaining how the great speed of such reactions are intimately associated with the unusual hydrogen-bond structure that characterizes liquid water. This publication is valuable to theoretical chemists and students concerned with the mathematical description of chemistry.
Table of Contents
List of Contributors
Preface
Contents of Previous Volumes
Theoretical Studies of Negative Molecular Ions
I. Introduction
II. The One-Electron Green's Function
III. Approximations to G(E)
IV. The Future
References
Geometrical Aspects of Equilibrium Thermodynamics
I. Introduction
II. Graphical and Geometrical Methods in Gibbs' Thermodynamics
III. Metric Geometry of Equilibrium Thermodynamics
IV. Related Topics
V. Concluding Remarks
References
A Model of the Liquid State. Three Phase Partition Functions
I. Earlier Models of the Liquid State
II. The Significant Liquid Structures Model
III. Liquid Mixtures
IV. Thermodynamic and Transport Properties
V. Surface Properties
VI. Properties and Structure of Water and Aqueous Solutions
References
Structure of Fluid 4He
I. Introduction
II. Formulation of the Problem
III. The Zero-Temperature Approach
IV. Finite-Temperature Approach: The Effective Potential Approximation
V. Summary and Discussion
References
Proton Transfer Reactions and Kinetics in Water
I. Introduction and Survey
II. Potential Energy Surfaces
III. General Theory of Association-Disassociation Reactions
IV. Electrical Response
V. Conclusions
References
Subject Index
Product details
- No. of pages: 252
- Language: English
- Copyright: © Academic Press 1978
- Published: January 1, 1978
- Imprint: Academic Press
- eBook ISBN: 9780323159005
About the Editor
Henry Eyring
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