Fragmentation: Toward Accurate Calculations on Complex Molecular Systems

Fragmentation: Toward Accurate Calculations on Complex Molecular Systems
sku: 34418166
15,730.00 руб.-2%
15,417.52 руб.
Shipping from: Russia
   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.
   Technical Details
age: 0
author: Группа авторов
genres_list: 5740
ISBN: 9781119129257
lang: en
publisher: John Wiley & Sons Limited
Type: book
Форматы: PDF
   Price history chart & currency exchange rate

Customers also viewed