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Theoretical Aspects and Computer Modeling of the Molecular Solid State

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Click here to buy Theoretical Aspects and Computer Modeling of the Molecular Solid State by  Angelo Gavezzotti. Theoretical Aspects and Computer Modeling of the Molecular Solid State
by Angelo Gavezzotti
Sales Rank: 5243337
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$390.00
At Amazon
on 11-10-2008.
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Features
  • Cover Type: Paperback with 248 pages
  • Published by: Wiley September 16, 1997
  • Written in: English
  • ISBN 10 Number: 0471961876
  • ISBN 13 Number: 978-0471961871
  • Book Dimensions: 9.3 x 5.9 x 0.8 inches
  • Weighs: 1 pounds

Product Description
The theoretical aspects of crystal packing, the study of the nature and magnitude of the forces that hold molecules together in organic crystals, and of the most favourable arrangements of molecules in crystals are dealt with in this book. After an introductory chapter on the definition and relevance of symmetry in crystal packing, a chapter deals with the physical foundations of weak intermolecular forces and with their simulation by quantum chemical methods. Subsequently, the relationships between crystal structure and crystal thermodynamics are described using empirical intermolecular potentials to bridge the gap by computer modelling.

Publisher Description
The theoretical aspects of crystal packing, the study of the nature and magnitude of the forces that hold molecules together in organic crystals, and of the most favourable arrangements of molecules in crystals are dealt with in this book. After an introductory chapter on the definition and relevance of symmetry in crystal packing, a chapter deals with the physical foundations of weak intermolecular forces and with their simulation by quantum chemical methods. Subsequently, the relationships between crystal structure and crystal thermodynamics are described using empirical intermolecular potentials to bridge the gap by computer modelling.


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Theoretical Aspects and Computer Modeling of the Molecular Solid State
List Price: $390.00
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Price: $390.00
Updated on 11-10-2008.
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