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Sunday, November 15, 2020 | History

5 edition of Volume 2, Reviews in Computational Chemistry found in the catalog.

Volume 2, Reviews in Computational Chemistry

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  • 20 Currently reading

Published by Wiley-VCH .
Written in English


Edition Notes

ContributionsKenneth B. Lipkowitz (Editor), Donald B. Boyd (Editor)
The Physical Object
Number of Pages527
ID Numbers
Open LibraryOL7613056M
ISBN 100471188107
ISBN 109780471188100


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This second volume of the series 'Reviews in Computational Chemistry' explores new applications, new methodologies, and new perspectives. The topics covered include conformational analysis, protein folding, force field parameterizations, hydrogen bonding, charge distributions, electrostatic potentials, electronic spectroscopy, molecular property correlations, and the computational chemistry.

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Reviews in Computational Chemistry, Volume 2. First published: 01 January About this Book. Request PDF | Reviews in Computational Chemistry, Volume 2 | Introduction Molecular Mechanics Modeling Knowledge-Based Modeling Semiempirical and.

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With this book we celebrate the tenth volume of Reviews in Compututiolzul Chemistry. This is an opportune time to take a brief look back at the prefaces of previous volumes, In Volume 1 (), we defined computational chemistry as consisting of those aspects of chemical research which are expedited or ren- dered practical by computers.

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Semi-empirical quantum chemistry methods are based on the Hartree–Fock formalism, but make many approximations and obtain some parameters from empirical data. They are very important in computational chemistry for treating large molecules where the full Hartree–Fock method without the approximations is too expensive.

The use of empirical parameters appears to allow some inclusion of. One place to start is the preface of the first volume of "Reviews in Computational Chemistry", VCH, around Editors are Kenny Lipkowitz and Donald Boyd.

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