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About Computational Thermochemistry: Prediction and Estimatoin of Molecular Thermodynamics
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.
Detailed Information
| Author: | Irikura K.K., Frurip D.J. |
|---|---|
| Publication Year: | 1998 |
| ISBN: | 134826 |
| Pages: | 157 |
| Language: | English |
| File Size: | 12.088 |
| Format: | |
| Price: | FREE |
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