Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends - Couverture souple

9789400797710: Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends

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ISBN 10 : 9400797710 ISBN 13 : 9789400797710

Editeur : Springer, 2014

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Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the "Conference on Current Trends in Computational Chemistry (CCTCC)" to which all authors have participated and contributed to its success.

This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the "Structural Chemistry"? Is there any way to avoid the problem of intruder state in the multi-reference formulation? What is the recent progress on multi-reference coupled cluster theory? Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, development of model core potential, quantum Monte Carlo method, nano and molecular electronics, dynamics of photodimerization and excited states, intermolecular interactions, hydrogen bonding and non-hydrogen bonding interactions, conformational flexibility, metal cations in zeolite catalyst and interaction of nucleic acid bases with minerals.

Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problem of chemical and physical importance. This book will provide valuable information to undergraduate, graduate, and PhD students as well as to established researchers.

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�diteurSpringer
Date d'�dition2014
ISBN 10 9400797710
ISBN 13 9789400797710
ReliureBroch�
Langueanglais
Nombre de pages680
�diteurLeszczynski Jerzy, Shukla Manoj
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Practical Aspects of Computational Chemistry I

Leszczynski, Jerzy|Shukla, Manoj K.

Edit� par Springer Netherlands, 2014

ISBN 10 : 9400797710 ISBN 13 : 9789400797710

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Etat : New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Written to attract newcomers to the field of computational chemistry Free from complicated theoretical chemistry jargon Provides rudimentary concepts required to grasp the basics Aimed at professionals in the physical sciences, biolo. N� de r�f. du vendeur 5828606

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Practical Aspects of Computational Chemistry I

Manoj Shukla

Edit� par Springer Netherlands Feb 2014, 2014

ISBN 10 : 9400797710 ISBN 13 : 9789400797710

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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 I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the 'Conference on Current Trends in Computational Chemistry (CCTCC)' to which all authors have participated and contributed to its success. This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the 'Structural Chemistry' Is there any way to avoid the problem of intruder state in the multi-reference formulation What is the recent progress on multi-reference coupled cluster theory Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, development of model core potential, quantum Monte Carlo method, nano and molecular electronics, dynamics of photodimerization and excited states, intermolecular interactions, hydrogen bonding and non-hydrogen bonding interactions, conformational flexibility, metal cations in zeolite catalyst and interaction of nucleic acid bases with minerals. Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problem of chemical and physical importance. This book will provide valuable information to undergraduate, graduate, and PhD students as well as to established researchers. 696 pp. Englisch. N� de r�f. du vendeur 9789400797710

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Practical Aspects of Computational Chemistry I

Manoj Shukla

Edit� par Springer Netherlands, Springer Netherlands Feb 2014, 2014

ISBN 10 : 9400797710 ISBN 13 : 9789400797710

Neuf Taschenbuch

Vendeur : buchversandmimpf2000, Emtmannsberg, BAYE, Allemagne

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Taschenbuch. Etat : Neu. Neuware -Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the �Conference on Current Trends in Computational Chemistry (CCTCC)� to which all authors have participated and contributed to its success.This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the �Structural Chemistry� Is there any way to avoid the problem of intruder state in the multi-reference formulation What is the recent progress on multi-reference coupled cluster theory Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, development of model core potential, quantum Monte Carlo method, nano and molecular electronics, dynamics of photodimerization and excited states, intermolecular interactions, hydrogen bonding and non-hydrogen bonding interactions, conformational flexibility, metal cations in zeolite catalyst and interaction of nucleic acid bases with minerals.Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problem of chemical and physical importance. This book will provide valuable information to undergraduate, graduate, and PhD students aswell as to established researchers.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 696 pp. Englisch. N� de r�f. du vendeur 9789400797710

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Practical Aspects of Computational Chemistry I : An Overview of the Last Two Decades and Current Trends

Manoj Shukla

Edit� par Springer Netherlands, Springer Netherlands, 2014

ISBN 10 : 9400797710 ISBN 13 : 9789400797710

Neuf Taschenbuch

Vendeur : AHA-BUCH GmbH, Einbeck, Allemagne

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Taschenbuch. Etat : Neu. Druck auf Anfrage Neuware - Printed after ordering - Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the 'Conference on Current Trends in Computational Chemistry (CCTCC)' to which all authors have participated and contributed to its success. This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the 'Structural Chemistry' Is there any way to avoid the problem of intruder state in the multi-reference formulation What is the recent progress on multi-reference coupled cluster theory Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, development of model core potential, quantum Monte Carlo method, nano and molecular electronics, dynamics of photodimerization and excited states, intermolecular interactions, hydrogen bonding and non-hydrogen bonding interactions, conformational flexibility, metal cations in zeolite catalyst and interaction of nucleic acid bases with minerals. Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problem of chemical and physical importance. This book will provide valuable information to undergraduate, graduate, and PhD students aswell as to established researchers. N� de r�f. du vendeur 9789400797710

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