Book Cover

Molecular Aggregation: Structure Analysis and Molecular Simulation of Crystals and Liquids Iucr Monographs on Crystallography

Contributor(s): Gavezzotti, Angelo (Author)

ISBN: 9780198570806

Publisher: Oxford University Press

Hardcover
$185.00
- +
Buy

Pub Date: February 3, 2007

Dewey: 530

LCCN: 2006027156

Lexile Code: 0000

Features: Bibliography, Glossary, Illustrated, Index, Price on Product

Target Age Group: NA to NA

Physical Info: 1.04" H x 9.22" L x 6.52" W ( 1.88 lbs) 442 pages

Series: International Union of Crystallography Monographs on Crystal

Descriptions, Reviews, etc.

Description: This book is divided in two parts. Part I provides a brief but accurate summary of all the basic ideas, theories, methods, and conspicuous results of structure analysis and molecular modelling of the condensed phases of organic compounds: quantum chemistry, the intermolecular potential, force field and molecular dynamics methods, structural correlation, and thermodynamics. This Part is written in simple and intuitive form, so that the reader may easily find there the essential background for the discussions in the second part. Part II exposes the present status of studies in the analysis, categorization, prediction and control, at a molecular level, of intermolecular interactions in liquids, solutions, mesophases, and crystals. The main focus is here on the links between energies, structures, and chemical or physical properties.

Review Quotes: "Fills a gap in the market ..., original and very topical, touching on the areas of molecular structure analysis, applied quantum theory, intermolecular forces, molecular dynamics, all with emphasis on the condensed states of matter."--Jack Dunitz, ETH Zurich
"An excellent resource book as well as a learning aid for specialists."--Choice

Worth Considering
Product successfully added to cart!