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Carte Fragmentation - Toward Accurate Calculations on Complex Molecular Systems Mark S. Gordon

Fragmentation - Toward Accurate Calculations on Complex Molecular Systems

Autor: Mark S. Gordon
Limbă: engleză
Legare: Copertă tare
Editura: John Wiley and Sons Ltd
Disponibilitate: În depozitul extern
Expediem în 14-20 zile
823.86 lei
Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to th...

Informații despre carte

Autor
Mark S. Gordon
Limbă
engleză
Legare
Carte - Copertă tare
Publicat
2017
Pagini
376
EAN
9781119129240
ISBN
9781119129240
Enbook ID
15735035
Editura
John Wiley and Sons Ltd
Greutate
822
Dimensiuni
169 x 258 x 22

Descriere completă

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.

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