Theoretical Chemistry Advances and Perspectives V3

Theoretical Chemistry Advances and Perspectives V3

1st Edition - January 1, 1978

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  • Editor: Henry Eyring
  • eBook ISBN: 9780323159005

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Description

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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