Computational Thermochemistry: Prediction and Estimation of Molecular Thermodynamics

By Frurip Irikura Karl K. Irikura American Chemical Society, et al.

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Computational Thermochemistry is the first book to cover this topic, and it combines accessible introductory material with state-of-the-art advances. The volume includes chapters on reaction rates for gas-phase reactions, solvation models, and phase-change enthalpies. The techniques span empirical estimation through the highest-level ab initio methods, and the appendices provide valuable information on current databases and software, along with a glossary and numerous worked examples.

Format:Hardcover

Language:English

ISBN:0841235333

ISBN13:9780841235335

Release Date:January 1998

Publisher:American Chemical Society

Length:480 Pages

Weight:1.64 lbs.

Dimensions:1.2" x 5.8" x 9.1"

Age Range:3 years and under

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Computational Thermochemistry: Prediction and Estimation of Molecular Thermodynamics

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