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

Fragmentation - Toward Accurate Calculations on Complex Molecular Systems

Автор: Mark S. Gordon
Език: Английски език
Корици: С твърди корици
Издател: John Wiley and Sons Ltd
Наличност: Външен склад
Изпращаме след 14-20 дни
165.93 € 324.53 лв
Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to th...

Информация за книгата

Автор
Mark S. Gordon
Език
Английски език
Корици
Книга - С твърди корици
Издадена
2017
страници
376
EAN
9781119129240
ISBN
9781119129240
Enbook ID
15735035
Издател
John Wiley and Sons Ltd
Теглоt
822
Размери
169 x 258 x 22

Пълно описание

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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