Overview
Hybrid Methods of Molecular Modeling is a self-contained advanced review offering step by step derivation of the consistent theoretical picture of hybrid modeling methods and the thorough analysis of the concepts and current practical methods of hybrid modeling based on this theory. Hybrid Methods of Molecular Modeling presents its material in a sequential way paying attention both to the physical soundness of the approximations used and to the mathematical rigor necessary for practical developing of the robust modeling code. Historical remarks are given when it is necessary to put the current presentation in a more general context and to establish relation with other areas of computational chemistry. The reader should have experience with basic concepts of computational chemistry and/or molecular modeling. Basic knowledge of operators, wave functions, electron densities is necessary.
Full Product Details
Author: Andrei L. Tchougréeff
Publisher: Springer-Verlag New York Inc.
Imprint: Springer-Verlag New York Inc.
Edition: 2008 ed.
Volume: 17
Dimensions:
Width: 15.50cm
, Height: 2.00cm
, Length: 23.50cm
Weight: 1.510kg
ISBN: 9781402081880
ISBN 10: 140208188
Pages: 344
Publication Date: 06 August 2008
Audience:
Professional and scholarly
,
College/higher education
,
Professional & Vocational
,
Postgraduate, Research & Scholarly
Format: Hardback
Publisher's Status: Active
Availability: In Print
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Reviews
From the reviews: This book is an advanced treatise on hybrid methods of molecular modeling. It provides a thorough and relatively self-contained presentation of the theoretical foundations of hybrid modeling with detailed derivations of the key equations and discussion of approximations for their solution. ! As such, this is a very useful reference for graduate students, practicing experts, and developers ! . Overall, this book is a novel contribution to the field of hybrid modeling that lays the foundation for formulating a useful general QM/MM modeling approach. (Darrin York, Journal of the American Chemical Society, Vol. 131 (42), 2009)
"From the reviews: ""This book is an advanced treatise on hybrid methods of molecular modeling. It provides a thorough and relatively self-contained presentation of the theoretical foundations of hybrid modeling with detailed derivations of the key equations and discussion of approximations for their solution. … As such, this is a very useful reference for graduate students, practicing experts, and developers … . Overall, this book is a novel contribution to the field of hybrid modeling that lays the foundation for formulating a useful general QM/MM modeling approach."" (Darrin York, Journal of the American Chemical Society, Vol. 131 (42), 2009)"
From the reviews: This book is an advanced treatise on hybrid methods of molecular modeling. It provides a thorough and relatively self-contained presentation of the theoretical foundations of hybrid modeling with detailed derivations of the key equations and discussion of approximations for their solution. ... As such, this is a very useful reference for graduate students, practicing experts, and developers ... . Overall, this book is a novel contribution to the field of hybrid modeling that lays the foundation for formulating a useful general QM/MM modeling approach. (Darrin York, Journal of the American Chemical Society, Vol. 131 (42), 2009)
