Computational Chemistry Using the PC |
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| Author:
| Rogers, D. W. |
| ISBN: | 978-0-471-18599-4 |
| Publication Date: | Nov 1994 |
| Publisher: | John Wiley & Sons, Incorporated
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| Imprint: | Wiley-VCH |
| Book Format: | Hardback |
| List Price: | AUD $224.95 |
Book Description:
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This book offers an introduction to computational chemistry, molecular orbital calculations and molecular mechanics. Hands-on problems in molecular mechanics, semi-empirical, ab initio and MO calculations are given. The need for a 2nd edition is dictated by the fast development of hardware and software over the past 3 years. It covers the great advances made in both hardware and software. A sophisticated background is not assumed in either mathematics or computer...
More DescriptionThis book offers an introduction to computational chemistry, molecular orbital calculations and molecular mechanics. Hands-on problems in molecular mechanics, semi-empirical, ab initio and MO calculations are given. The need for a 2nd edition is dictated by the fast development of hardware and software over the past 3 years. It covers the great advances made in both hardware and software.
A sophisticated background is not assumed in either mathematics or computer programming. Where needed, the mathematical substructure is built up gradually. The book includes a disk with about 50 complete projects and selected output files suitable for self- study.