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9789400786486: Practical Aspects of Computational Chemistry: Methods, Concepts and Applications

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ISBN 10 : 9400786484 ISBN 13 : 9789400786486

Editeur : Springer, 2014

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"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.

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�diteurSpringer
Date d'�dition2014
ISBN 10 9400786484
ISBN 13 9789400786486
ReliureBroch�
Langueanglais
Nombre de pages484
�diteurLeszczynski Jerzy, Shukla Manoj
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Practical Aspects of Computational Chemistry

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ISBN 10 : 9400786484 ISBN 13 : 9789400786486

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Etat : New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Provides a modern perspective of computational chemistry techniques used in a large range of sciencesAll contributions are from recognized, eminent scholars in their research fieldsApplications include atomic clusters, molecules, crystals, . N� de r�f. du vendeur 5828168

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Practical Aspects of Computational Chemistry

Manoj Shukla

Edit� par Springer Netherlands Nov 2014, 2014

ISBN 10 : 9400786484 ISBN 13 : 9789400786486

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Taschenbuch. Etat : Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -'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. 484 pp. Englisch. N� de r�f. du vendeur 9789400786486

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Practical Aspects of Computational Chemistry: Methods, Concepts and Applications

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Practical Aspects of Computational Chemistry : Methods, Concepts and Applications

Manoj Shukla

Edit� par Springer Netherlands, Springer Netherlands, 2014

ISBN 10 : 9400786484 ISBN 13 : 9789400786486

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Taschenbuch. Etat : Neu. Druck auf Anfrage Neuware - Printed after ordering - '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. N� de r�f. du vendeur 9789400786486

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Practical Aspects of Computational Chemistry

Manoj Shukla

Edit� par Springer Netherlands, Springer Netherlands Nov 2014, 2014

ISBN 10 : 9400786484 ISBN 13 : 9789400786486

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Taschenbuch. Etat : Neu. This item is printed on demand - Print on Demand Titel. Neuware -'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.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 484 pp. Englisch. N� de r�f. du vendeur 9789400786486

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