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Theoretical Aspects & Computer Modelling of the Molecular Solid State

Name: Theoretical Aspects & Computer Modelling of the Molecular Solid State
Brand: John Wiley & Sons Inc
SKU: 9780471961871
Price: 158381 HUF
Availability: InStock

Szerző: Angelo Gavezzotti

Nyelv:

Kötés: Kemény kötésű

Kiadó: John Wiley & Sons Inc

Elérhetőség: Beszállítói készleten

Küldés 10-18 napon belül

158 381 Ft

The theoretical aspects of crystal packing, the study of the nature and magnitude of the forces that...

Információk a könyvről

Szerző

Angelo Gavezzotti

Nyelv

Angol

Kötés

Könyv - Kemény kötésű

Kiadva

1997

oldal

248

EAN

9780471961871

ISBN

0471961876

Enbook ID

01389664

Kiadó

John Wiley & Sons Inc

Súly

484

Méretek

161 x 236 x 24

Teljes leírás

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 Molecular Solid State Founding Editor: J. D. Dunitz ETH Zentrum, Zürich, Switzerland This new series reports on advances in the field of molecular solid state chemistry. Each volume focuses on selected areas and highlights methods and results in syntheses, properties and applications. Future volumes will provide a continuing forum for the discussion of chemical, physical, biological and crystallographic aspects of the molecular solid state. Theoretical Aspects and Computer Modeling of the Molecular Solid State Edited by Angelo Gavezzotti, University of Milan, Italy Focusing on crystal symmetry, intermolecular forces and the thermodynamics of solids and phase transitions, this first volume in the series provides the basic theoretical framework for understanding the molecular solid state. This compendium of reviews opens the way to the computer modeling of molecules and molecular crystals, enabling the reproduction and prediction of structural and energetic properties. This forms the basis for understanding the exciting developments in experimental techniques and the design and creation of novel materials. An appreciation of the underlying theories and uses of molecular modeling packages is essential for the solid state chemist. Angelo Gavezzotti is a professor of physical chemistry at the University of Milan and a renowned expert in the theoretical and computer modeling of organic solids. He provides an introductory chapter on crystal symmetry and molecular recognition, a topic that is essential in understanding how crystals grow and how crystal properties are related to the physical properties of solids. Theoretical Aspects and Computer Modeling of the Molecular Solid State is invaluable to theoretical chemists in materials science, crystallography and solid state chemistry.

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