Molecular Aggregation: Structure analysis and molecular simulation of crystals and liquids: 19 (International Union of Crystallography Monographs on Crystallography) - Tapa dura

Libro 6 de 18: International Union of Crystallography Monographs on Crystallography

Gavezzotti, Angelo

 
9780198570806: Molecular Aggregation: Structure analysis and molecular simulation of crystals and liquids: 19 (International Union of Crystallography Monographs on Crystallography)
Tapa dura
ISBN 10: 0198570805 ISBN 13: 9780198570806
Editorial: OUP Oxford, 2006

Sinopsis

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.

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Acerca del autor

Angelo Gavezzotti
Professor, Physical Chemistry, Department of Structural Chemistry, University of Milan
Fellow of the Royal Society of Chemistry




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)


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Editorial
OUP Oxford
Año de publicación
2006
Idioma
Inglés
ISBN 10 
0198570805
ISBN 13 
9780198570806
Encuadernación
Tapa dura
Número de páginas
442
Contacto del fabricante
no disponible
Persona responsable
gpsr@libri.de
gpsr@libri.de

Europaallee 1
Bad Hersfeld
36244
Alemania

Otras ediciones populares con el mismo título

9780199673650: Molecular Aggregation: Structure Analysis And Molecular Simulation Of Crystals And Liquids (Iucr Monographs On Crystallography): 19 (International ... Monographs on Crystallography)

Edición Destacada

ISBN 10:  0199673659 ISBN 13:  9780199673650
Editorial: Oxford University Press, Usa, 2013
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