Physics, Physics, Computers - General & Miscellaneous, Software Engineering, Earth Science, Chemistry - General and miscellaneous, Biology & Life Sciences, Mechanical Engineering & Dynamics, Mechanical Engineering & Dynamics, Theories of Science, Earth Sc
Molecular Aggregation: Structure Analysis and Molecular Simulation of Crystals and Liquids
Angelo Gavezzotti
Available on Bookshop
Write a review
Books.org participates in affiliate programs including Bookshop.org and the Amazon Services LLC Associates Program. We may earn a commission from qualifying purchases made through links on this page, at no additional cost to you.
Log in to track your reading progress.
Overview
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.
Synopsis
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.Book Details
Published
June 1, 2013
Publisher
Oxford University Press
Pages
448
Format
Paperback
ISBN
9780199673650