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Theoretical Chemistry Advances and Perspectives
- 1st Edition - January 1, 1975
- Editor: Henry Eyring
- Language: English
- eBook ISBN:9 7 8 - 0 - 3 2 3 - 1 5 9 5 8 - 6
Theoretical Chemistry: Advances and Perspectives, Volume 1 analyzes all aspects of theoretical chemistry. This volume describes the statistical techniques for studying the… Read more
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Request a sales quoteTheoretical Chemistry: Advances and Perspectives, Volume 1 analyzes all aspects of theoretical chemistry. This volume describes the statistical techniques for studying the nonequilibrium behavior of physical systems, followed by a discussion on the theory of optical activity. The interactions of inert gas molecules at large separations and conformal theory of solutions are also reviewed. This book likewise covers the application of the Hartree-Fock approximation to solids. Other topics include the line of sight interaction model, calculation of long-range interaction coefficients, perturbation expansion, common M-fluid theories, and classical Madelung sums. This publication is intended for researchers and practitioners of disciplines related to theoretical chemistry.
List of Contributors
Preface
Nonequilibrium Molecular Dynamics
I. Introduction
II. Molecular Dynamics
III. Nonsteady Problems
IV. Steady State Problems
V. Prospects
Note Added in Proof
References
Models in Optical Activity
I. The Self-Consistent Field Concept and Its Relationship to One- and Many-Electron Models
II. General Models for Optical Activity
III. The Line of Sight Interaction Model
IV. Through Bond Effects
V. Coulombic and Exchange Models
References
Obituary—Peter J. Leonard
Dipole Oscillator Strengths and Related Quantities for Inert Gases
I. Introduction
II. Calculation of Long-Range Interaction Coefficients
III. Comparison with Other Results
References
Conformal Solution Theory: First-Order Generalized Theory for Mixtures
I. Introduction
II. The Perturbation Expansion
III. The Common M-Fluid Theories
IV. Conclusion
References
Hartree-Fock Studies of Electronic Structures of Crystalline Solids
I. Introduction
II. Classical Madelung Sums
III. Quantum-Mechanical Calculations
References
Subject Index
- No. of pages: 234
- Language: English
- Edition: 1
- Published: January 1, 1975
- Imprint: Academic Press
- eBook ISBN: 9780323159586
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