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Fragmentation: Toward Accurate Calculations on Complex Molecular Systems



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Wiley


Paru le : 2017-08-04



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Description

Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. These methods work by subdividing a system into subunits, called fragments or subsystems or domains. Calculations are performed on each fragment and then the results are combined to predict properties for the whole system.
Topics covered include: Fragmentation methods Embedding methods Explicitly correlated local electron correlation methods Fragment molecular orbital method Methods for treating large molecules
This book is aimed at academic researchers who are interested in computational chemistry, computational biology, computational materials science and related fields, as well as graduate students in these fields.
Pages
384 pages
Collection
n.c
Parution
2017-08-04
Marque
Wiley
EAN papier
9781119129240
EAN PDF
9781119129257
Informations sur l'ebook
Nombre pages copiables
0
Nombre pages imprimables
376
Taille du fichier
44995 Ko
Ce livre est accessible aux handicaps Voir les informations sur l'accessibilité
Prix
163,47 €
EAN EPUB
9781119129264
Informations sur l'ebook
Nombre pages copiables
0
Nombre pages imprimables
384
Taille du fichier
14060 Ko
Ce livre est accessible aux handicaps Voir les informations sur l'accessibilité
Prix
163,47 €

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