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

This document was uploaded by one of our users. The uploader already confirmed that they had the permission to publish it. If you are author/publisher or own the copyright of this documents, please report to us by using this DMCA report form.

Simply click on the Download Book button.

Yes, Book downloads on Ebookily are 100% Free.

Sometimes the book is free on Amazon As well, so go ahead and hit "Search on Amazon"

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 experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide  Read more...

Author(s): Hinchliffe, Alan
Series: Specialist periodical report.
Publisher: Royal Society of Chemistry
Year: 2002

Language: English
Pages: 448
City: Cambridge
Tags: Химия и химическая промышленность;Матметоды и моделирование в химии;

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