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...

Ausführliche Beschreibung

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Bibliographische Detailangaben
1. Verfasser: Marx, Dominik
Format: Buch
Sprache:Undetermined
Veröffentlicht: Cambridge Cambridge University Press 2009
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