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Computational chemistry

Author: Jeremy Harvey
Publisher: Oxford, United Kingdom : Oxford University Press, [2018] ©2018
Series: Oxford chemistry primers.
Edition/Format:   Print book : EnglishView all editions and formats
Summary:

The powerful and versatile applications of computational chemistry are covered succinctly and clearly in this primer, making it an ideal introduction for those new to the field.

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Document Type: Book
All Authors / Contributors: Jeremy Harvey
ISBN: 9780198755500 0198755503
OCLC Number: 1005888564
Notes: Includes index.
Description: ix, 139 pages, 1 unnumbered page : illustrations ; 25 cm.
Contents: Computation and Computers in Chemistry --
Quantum Chemistry --
Quantum Chemical Methods --
Molecular Mechanics Methods --
Geometry Optimization --
Dynamics Methods --
Rate Constants and Equilibria --
Hybrid and Multi-Scale Methods --
Conclusions.
Series Title: Oxford chemistry primers.
Responsibility: Jeremy Harvey.

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A valuable and productive effort that can strongly benefit the development and the general understanding of computational chemistry and molecular simulation. * Antonio Monari, Universite de Lorraine, Read more...

 
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