Quantum and Statistical Theory of Solutions: A Computational Approach (Ellis Horwood Series in Liquid & Solution Chemistry)

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9780137474608: Quantum and Statistical Theory of Solutions: A Computational Approach (Ellis Horwood Series in Liquid & Solution Chemistry)

Containing a detailed review of the latest developments in the investigation of various physical and chemical processes in liquid, this book's main emphasis lies in the theory of solutions used. Divided into two parts, the first section of the text is theoretically based, discussing methods of quantum chemistry and statistical physics as applied to the simulation of liquid phase properties. Various methods are considered, including the semi-empirical and non-empirical methods of quantum chemistry, dielectric models, Monte Carlo and molecular dynamics methods. The influence of the calculational scheme on the results of calculations on solutions is discussed. Part 2 covers the applications of the methods in the study of the properties of infinitely diluted electrolyte and non-electrolyte solutions, the mechanisms of association, chemical reactions including electron and proton transfer, and the medium influence on the spectral characteristics. The powerful applications of statistical physics are emphasized.

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B Ya Simkin, I I Sheikhet
Published by Ellis Horwood Ltd (1995)
ISBN 10: 0137474601 ISBN 13: 9780137474608
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B Ya Simkin
Published by Prentice Hall PTR (1995)
ISBN 10: 0137474601 ISBN 13: 9780137474608
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