Limit search to available items
Book Cover
E-book
Author Tchougréeff, Andrei L

Title Hybrid methods of molecular modeling / Andrei L. Tchougréeff
Published [Dordrecht] : Springer, ©2008

Copies

Description 1 online resource (xvii, 344 pages)
Series Progress in theoretical chemistry and physics ; v. 17
Progress in theoretical chemistry and physics ; v. 17.
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
Bibliography Includes bibliographical references and index
Notes Print version record
In Springer eBooks
Subject Molecules -- Models -- Computer simulation
Molecular structure -- Mathematical models
Molecular structure -- Computer simulation
Chemistry.
Models, Molecular
Chemistry
molecular models
chemistry.
SCIENCE -- Chemistry -- Physical & Theoretical.
Chimie.
Science des matériaux.
Molecular structure -- Computer simulation
Molecular structure -- Mathematical models
Molecules -- Models -- Computer simulation
Form Electronic book
ISBN 9781402081897
1402081898
9781402081880
140208188X