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Hybrid methods of molecular modeling [electronic resource] / Andrei L. Tchougréeff

Author
Tchougréeff, Andrei L.
Published
[Dordrecht] : Springer, [2008]
Copyright Date
©2008
Physical Description
1 online resource (xvii, 344 pages)
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Series
Contents
Molecular Modeling: Problem Formulation and Wrapping Contexts; Models of Molecular Structure: Hybrid Perspective; Deductive Molecular Mechanics: Bridging Quantum and Classical Models of Molecular Structure; Synthesis: Hybrid Molecular Models for Coordination Compounds.
Summary
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.
Subject(s)
ISBN
9781402081897
1402081898
9781402081880
140208188X
6611861386 (electronic bk.)
9786611861384 (electronic bk.)
Note
AVAILABLE ONLINE TO AUTHORIZED PSU USERS.
Bibliography Note
Includes bibliographical references and index.
View MARC record | catkey: 5001750