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

Fragmentation - Toward Accurate Calculations on Complex Molecular Systems

Szerző: Mark S. Gordon
Nyelv: Angol
Kötés: Kemény kötésű
Kiadó: John Wiley and Sons Ltd
Elérhetőség: Beszállítói készleten
Küldés 14-20 napon belül
55 724 Ft
Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to th...

Információk a könyvről

Szerző
Mark S. Gordon
Nyelv
Angol
Kötés
Könyv - Kemény kötésű
Kiadva
2017
oldal
376
EAN
9781119129240
ISBN
9781119129240
Enbook ID
15735035
Kiadó
John Wiley and Sons Ltd
Súly
822
Méretek
169 x 258 x 22

Teljes leírás

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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