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
Imprint: Springer
Edition: Softcover reprint of hardcover 1st ed. 2008
Volume: 17
Dimensions:
Width: 15.50cm
, Height: 1.90cm
, Length: 23.50cm
Weight: 0.599kg
ISBN: 9789048177998
ISBN 10: 9048177995
Pages: 344
Publication Date: 22 November 2010
Audience:
Professional and scholarly
,
College/higher education
,
Professional & Vocational
,
Postgraduate, Research & Scholarly
Format: Paperback
Publisher's Status: Active
Availability: Out of print, replaced by POD
We will order this item for you from a manufatured on demand supplier.
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)"
