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Theoretical Aspects and Computer Modeling of the Molecular Solid State
Gavezotti
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Description for Theoretical Aspects and Computer Modeling of the Molecular Solid State
Paperback. Theoretical understanding and modeling of the solid state are important tools for further development of solid-state chemistry research. This book provides an overview of the latest developments in computer modeling and theoretical aspects of molecular solid states. Editor(s): Gavezzotti, Angelo. Series: Molecular Solid State. Num Pages: 248 pages, Illustrations. BIC Classification: PNN; PNT; UGK. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly; (UU) Undergraduate. Dimension: 237 x 163 x 19. Weight in Grams: 520.
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.
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.
Product Details
Format
Paperback
Publication date
1997
Publisher
John Wiley and Sons Ltd United Kingdom
Number of pages
248
Condition
New
Series
Molecular Solid State
Number of Pages
256
Place of Publication
New York, United States
ISBN
9780471961871
SKU
V9780471961871
Shipping Time
Usually ships in 7 to 11 working days
Ref
99-50
About Gavezotti
Professor Angelo Gavezzotti 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 ... Read more
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