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portada Fragmentation: Toward Accurate Calculations on Complex Molecular Systems
Type
Physical Book
Publisher
Author
Language
English
Pages
376
Format
Hardcover
Dimensions
24.6x17.5x2.3 cm
Weight
0.86 kg.
ISBN13
9781119129240
Categories

Fragmentation: Toward Accurate Calculations on Complex Molecular Systems

Gordon, Mark S. (Author) · Wiley · Hardcover

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

New Book Imported to Taiwan
Delivery: 10 Nov - 18 Nov Shipping: 7 to 8 business days.
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NT$ 5,608

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Synopsis "Fragmentation: Toward Accurate Calculations on Complex Molecular Systems"

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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