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

ISBN: 9780198570806

Published: February 1st 2007

Hardcover

448 pages


Description

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

Molecular Aggregation: Structure Analysis and Molecular Simulation of Crystals and Liquids Iucr Monographs on Crystallography by Angelo Gavezzotti
February 1st 2007 | Hardcover | PDF, EPUB, FB2, DjVu, audiobook, mp3, ZIP | 448 pages | ISBN: 9780198570806 | 8.45 Mb

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: quantumMoreThis 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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