Computational Thermochemistry: Prediction and Estimatoin of Molecular Thermodynamics
Irikura K.K., Frurip D.J.
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.
Kategori:
Tahun:
1998
Bahasa:
english
Halaman:
157
ISBN 10:
0841235333
ISBN 13:
9780841235335
Fail:
PDF, 12.09 MB
IPFS:
,
english, 1998
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