Ab initio molecular dynamics : Basic theory and advanced methods

Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing...

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Bibliografski detalji
Glavni autor: Marx, Dominik
Format: Knjiga
Jezik:Undetermined
Izdano: Cambridge Cambridge University Press 2009
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