Open Daily: 10am - 10pm | Alley door pickup 10am - 7pm 3038 Hennepin Ave Minneapolis, MN
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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Molecular Aggregation: Structure Analysis and Molecular Simulation of Crystals and Liquids Iucr Monographs on Crystallography

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

Gavezzotti, Angelo

Hardcover

Series: International Union of Crystallography Monographs on Crystal, Book 19

ChemistryPhysics

ISBN10: 0198570805
ISBN13: 9780198570806
Publisher: OUP Oxford
Published: Feb 3 2007
Pages: 442
Weight: 1.88
Height: 1.04 Width: 6.52 Depth: 9.22
Language: English
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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