Entropies of condensed phases and complex systems a first principles approach
Predicting thermodynamic quantities for chemically realistic systems on the basis of atomistic calculations is still, even today, a nontrivial task. Nonetheless, accurate treatment of inter-particle interactions, in terms of quantum chemical first principles methods, is a prerequisite for many appli...
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| Формат: | Electronic Resource |
| Язык: | English |
| Опубликовано: |
Berlin, Heidelberg, New York
Springer
c2011.
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| Online-ссылка: | Available for the University of the Philippines Diliman via SpringerLink. Click here to access |