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Fragmentationtoward accurate calcula...

Gordon, M. S.

Fragmentationtoward accurate calculations on complex molecular systems /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Fragmentationedited by Mark S. Gordon.
Reminder of title:	toward accurate calculations on complex molecular systems /
other author:	Gordon, M. S.
Published:	Hoboken, NJ :John Wiley & Sons,2017.
Description:	1 online resource (xv, 358 p.)
Subject:	Fragmentation reactions.
Online resource:	https://onlinelibrary.wiley.com/doi/book/10.1002/9781119129271
ISBN:	9781119129271$q(electronic bk.)

Fragmentationtoward accurate calculations on complex molecular systems /
Fragmentationtoward accurate calculations on complex molecular systems /[electronic resource] :edited by Mark S. Gordon. - 1st ed. - Hoboken, NJ :John Wiley & Sons,2017. - 1 online resource (xv, 358 p.)

Includes bibliographical references and index.

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.

ISBN: 9781119129271$q(electronic bk.)

LCCN: 2016058050Subjects--Topical Terms:

757483
Fragmentation reactions.

LC Class. No.: QD281.F7 / F738 2017

Dewey Class. No.: 547/.128

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245 0 0 $a Fragmentation $h [electronic resource] : $b toward accurate calculations on complex molecular systems / $c edited by Mark S. Gordon.
250 $a 1st ed.
260 $a Hoboken, NJ : $b John Wiley & Sons, $c 2017.
300 $a 1 online resource (xv, 358 p.)
504 $a Includes bibliographical references and index.
520 $a 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.
588 $a Description based on online resource; title from digital title page (viewed on August 17, 2017)
650 0 $a Fragmentation reactions. $3 757483
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