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Item Details
| Title:
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PRACTICAL ASPECTS OF COMPUTATIONAL CHEMISTRY
METHODS, CONCEPTS AND APPLICATIONS |
| By: |
Jerzy Leszczynski (Editor), Manoj Shukla (Editor) |
| Format: |
Hardback |
| List price:
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£179.99 |
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We currently do not stock this item, please contact the publisher directly for
further information.
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| ISBN 10: |
904812686X |
| ISBN 13: |
9789048126866 |
| Publisher: |
SPRINGER |
| Pub. date: |
3 November, 2009 |
| Edition: |
2010 ed. |
| Pages: |
465 |
| Description: |
This book presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. The chapters focus on recent theoretical developments. All the contributions are from eminent scholars in their research fields. |
| Synopsis: |
"Practical Aspects of Computational Chemistry" presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. The chapters focus on recent theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. Studies include those in the gas phase, various solvents, various aspects of computational multiscale modeling, Monte Carlo simulations, chirality, the multiple minima problem for protein folding, the nature of binding in different species and dihydrogen bonds, carbon nanotubes and hydrogen storage, adsorption and decomposition of organophosphorus compounds, X-ray crystallography, proton transfer, structure-activity relationships, a description of the REACH programs of the European Union for chemical regulatory purposes, reactions of nucleic acid bases with endogenous and exogenous reactive oxygen species and different aspects of nucleic acid bases, base pairs and base tetrads. |
| Illustrations: |
XVII, 465 p. |
| Publication: |
Netherlands |
| Imprint: |
Springer |
| Returns: |
Returnable |
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