Chemical modelling : applications and theory. Vol. 2, A review of the literature published between June 1999 and May 2001 /

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by exp...

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Bibliographic Details
Corporate Author:	Royal Society of Chemistry (Great Britain)
Other Authors:	Hinchliffe, Alan
Format:	eBook
Language:	English
Published:	Cambridge : Royal Society of Chemistry, 2002.
Series:	Specialist periodical report.
Subjects:	Molecules > Models. Chemistry. REFERENCE > Yearbooks & Annuals. SCIENCE > Chemistry > General. Science. Electronic books.
Online Access:	Connect to the full text of this electronic book

Table of Contents:

Front matter;Preface;Contents;Simulation of the liquid state;Enumeration in chemistry;Density functional theory;Numerical methods for the solution of 1D, 2D and 3D differential equations arising in chemical problems;Computer-aided drug design 2000-2001;Electric multipoles, polarizabilities, hyperpolarizabilities and analogous magnetic properties;Many-body perturbation theory and its application to the molecular electronic structure problem;Quantum topological atoms.