Molecular Aggregation
Structure Analysis and Molecular Simulation of Crystals and Liquids
Published on 18. April 2013
Book
Paperback/Softback
446 pages
978-0-19-967365-0 (ISBN)
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.
Reviews / Votes
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 original and readable book ... stimulating and informative. * Sally Price, University College London * An excellent resource book as well as a learning aid for specialists. * Choice *More details
Series
Language
English
Place of publication
Oxford
United Kingdom
Target group
College/higher education
Professional and scholarly
Dimensions
Height: 234 mm
Width: 156 mm
Thickness: 24 mm
Weight
673 gr
ISBN-13
978-0-19-967365-0 (9780199673650)
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Classification
Other editions
Additional editions
Angelo Gavezzotti
Molecular Aggregation
Structure analysis and molecular simulation of crystals and liquids
E-Book
11/2006
OUP eBook
€61.49
Available for download
Angelo Gavezzotti
Molecular Aggregation
Structure analysis and molecular simulation of crystals and liquids
Book
11/2006
Oxford University Press
€181.40
Shipment within 15-20 days
Person
Professor Angelo Gavezzotti
Laurea (degree) in Chemistry, 1968, University of Milano
1972 Lecturer in Physical and Theoretical Chemistry, University of Milano
1983 Associate Professor of Physical Chemistry, University of Milano
1987 Professor of Physical Chemistry, University of Milano
1973-74 Research term at Centre Europeen de Calcul Atomique et Moleculaire, Orsay (Paris);
1977-78 Research term at the Department of Chemistry, University of Michigan (with L.S.Bartell)
Coeditor, Acta Crystallographica (1988-1991)
Author or coauthor of about 120 full papers in properly refereed journals or books with international editorship (mean of 2.2 authors per publication)
Author of widely disseminated computer program packages
Invited speaker at congresses, meetings, or for lectures and seminars in Universities and Chemical Companies worldwide
Fellow of the Royal Society of Chemistry (2005)
Laurea (degree) in Chemistry, 1968, University of Milano
1972 Lecturer in Physical and Theoretical Chemistry, University of Milano
1983 Associate Professor of Physical Chemistry, University of Milano
1987 Professor of Physical Chemistry, University of Milano
1973-74 Research term at Centre Europeen de Calcul Atomique et Moleculaire, Orsay (Paris);
1977-78 Research term at the Department of Chemistry, University of Michigan (with L.S.Bartell)
Coeditor, Acta Crystallographica (1988-1991)
Author or coauthor of about 120 full papers in properly refereed journals or books with international editorship (mean of 2.2 authors per publication)
Author of widely disseminated computer program packages
Invited speaker at congresses, meetings, or for lectures and seminars in Universities and Chemical Companies worldwide
Fellow of the Royal Society of Chemistry (2005)
Content
PART I: FUNDAMENTALS; PART II: THE FRONTIER