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Molecular Modeling of Inorganic Compounds

Comba, Peter ; Hambley, Trevor W ; Martin, Bodo

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Título:
Molecular Modeling of Inorganic Compounds
Autor: Comba, Peter ; Hambley, Trevor W ; Martin, Bodo
Assuntos: Chemical models ; Inorganic compounds ; Mathematical models
Descrição: After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been completely revised and uses the very latest software, a full version of which is enclosed on CD, allowing readers to carry out their own initial experiments with forcefield calculations in organometal and complex chemistry.
Editor: Newark: Wiley-VCH
Data de criação/publicação: 2009
Formato: 346
Idioma: Inglês

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