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Reviews in computational chemistry

Author: Kenny B Lipkowitz; Donald B Boyd
Publisher: New York, N.Y. : VCH, ©1990.
Edition/Format:   Print book : EnglishView all editions and formats
Summary:

An account of current developments in the field of computational chemistry. The core of the book deals with techniques for computer-assisted molecular modelling and software for molecular recognition  Read more...

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Additional Physical Format: Online version:
Reviews in computational chemistry.
New York, N.Y. : VCH, ©1990
(OCoLC)749017114
Document Type: Book
All Authors / Contributors: Kenny B Lipkowitz; Donald B Boyd
ISBN: 089573754X 9780895737540 3527278451 9783527278459
OCLC Number: 20853747
Description: xix, 419 pages : illustrations ; 25 cm
Contents: Basic sets for Ab initio molecular orbital calculations and intermolecular interactions; semiempirical molecular orbital methods; properties of molecules by direct calculation; the application of quantitative design strategies in pesticide design; chemometrics and multivariate analysis in analytical chemistry; searching databases of three-dimensional structures; molecular surfaces; computer simulation of biomolecular systems using molecular dynamics and free energy perturbation methods; aspects of molecular modelling; successes of computer-assisted molecular design; perspectives on Ab initio calculations; compendium of software for molecular modelling.
Responsibility: edited by Kenny B. Lipkowitz and Donald B. Boyd.

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