Mathematical Challenges from Theoretical/Computational Chemistry

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Size: 144 pages, 8.5 x 11

Publication Year:1995

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PAPERBACK ISBN-10: 0-309-05097-9 ISBN-13: 978-0-309-05097-5	$25.00	Add to Cart

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Committee on Mathematical Challenges from Computational Chemistry, National Research Council
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Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas ...
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Table of Contents
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Front Matter	i-xii
Executive Summary	1-6	(skim)
Introduction	7-12	(skim)
The Emergence of Computational Chemistry	13-18	(skim)
Examples of Constructive Cross-Fertilization Between the Mathematical Sciences and Chemistry	19-42	(skim)
Mathematical Research Opportunities from Theoretical/Computational Chemistry	43-108	(skim)
Cultural Issues and Barriers to Interdisciplinary Work	109-116	(skim)
Conclusions and Recommendations	117-120	(skim)
Afterword	121-122	(skim)
Glossary	123-131	(skim)

Description

Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.

Mathematical Challenges from Theoretical/Computational Chemistry

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