ENGLISH

Reviews in Computational Chemistry, Volume 2

By Donald B. Boyd , Kenneth B. Lipkowitz

Book information

Year
1991
ISBN
9780471188100, 0471188107
Open Library ID
OL7613056M
Language
english
Format
PDF
Filesize
28 MB (28981027 bytes)
Edition
1
Pages
527\536
Topic
Chemistry
Scanned
yes
Time added
2011-06-04 13:46:07

Description

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 literature. Methodologies described include conformational search strategies, distance geometry, molecular mechanics, molecular dynamics, ab initio and semiempirical molecular orbital calculations, and quantitative structure-activity relationships (QSAR) using topological and electronic descriptors. A compendium of molecular modeling software will help users select the computational tools they need. Each chapter in 'Reviews in Computational Chemistry' serves as a brief tutorial for organic, physical, pharmaceutical, and biological chemists new to the field. Practitioners will be interested in the recent advances.

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