Quantum chemical and statistical theory of solutions : a computational approach
著者
書誌事項
Quantum chemical and statistical theory of solutions : a computational approach
（Ellis Horwood series in physical chemistry）
Ellis Horwood, 1995
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内容説明・目次
内容説明
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.
目次
- Part 1 Calculation methods: quantum chemical methods for calculation of intermolecular interaction
- dielectric models of infinitely diluted solution
- quantum chemical approaches to study of solute molecules
- statistical methods in the theory of solution
- methods for approximating intermolecular interaction energies by analytical functions. Part 2 Application of methods: structure and energetics of infinitely diluted solutions
- formation of associates in solutions
- medium influence on conformational, tautomeric and acid-base equilibria
- medium influence on electron transfer reactions
- proton transfer reactions
- mechanisms of chemical reactions in the approximation of equilibrium medium
- solvent effects on absorption and emission spectra.
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