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Computational chemistry : reviews of current trends
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ISBN: 9812815155 9789812815156 9810240007 9789810240004 Year: 1999 Publisher: Singapore ; River Edge, N.J. : World Scientific,

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Abstract

This volume presents a balanced blend of methodological and applied contributions. It supplements well the first three volumes of the series, revealing results of current research in computational chemistry. It also reviews the topographical features of several molecular scalar fields. A brief discussion of topographical concepts is followed by examples of their application to several branches of chemistry.The size of a basis set applied in a calculation determines the amount of computer resources necessary for a particular task. The details of a common strategy - the ab initio model potential

Computational chemistry : reviews of current trends
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ISBN: 9812812172 9789812812179 9810237529 9789810237523 Year: 1999 Publisher: Singapore : World Scientific,

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Volume 3 of Computational Chemistry: Reviews of Current Trends adds well to the first two volumes of the series, presenting results of current developments in the methodologies and the applications of computational chemistry methods. The topics covered include fundamentals and applications of multireference Brillouin-Wigner coupled-cluster theory, as well as recent developments in quantum-chemical modeling of the interaction of solute and solvent.The book also features a review of recent developments and applications of the model-core-potential method. The application of computational methods

Computational molecular biology
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ISBN: 9780444500304 0444500308 9780080529646 008052964X 1281071005 9781281071002 9786611071004 6611071008 Year: 1999 Publisher: Amsterdam New York Elsevier

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This book covers applications of computational techniques to biological problems. These techniques are based by an ever-growing number of researchers with different scientific backgrounds - biologists, chemists, and physicists. The rapid development of molecular biology in recent years has been mirrored by the rapid development of computer hardware and software. This has resulted in the development of sophisticated computational techniques and a wide range of computer simulations involving such methods. Among the areas where progress has been profound is in the modeling of DNA structu

Computational molecular biology
Author:
ISBN: 9780444500304 0444500308 9780080529646 008052964X 1281071005 9781281071002 9786611071004 6611071008 Year: 1999 Publisher: Amsterdam ; New York : Elsevier,

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Abstract

This book covers applications of computational techniques to biological problems. These techniques are based by an ever-growing number of researchers with different scientific backgrounds - biologists, chemists, and physicists. The rapid development of molecular biology in recent years has been mirrored by the rapid development of computer hardware and software. This has resulted in the development of sophisticated computational techniques and a wide range of computer simulations involving such methods. Among the areas where progress has been profound is in the modeling of DNA structu

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