Description

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.

Theoretical Aspects and Computer Modeling of the Molecular Solid State

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Hardback by Angelo Gavezzotti

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The theoretical aspects of crystal packing, the study of the nature and magnitude of the forces that hold molecules together... Read more

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    Publisher: John Wiley & Sons Inc
    Publication Date: 28/01/1997
    ISBN13: 9780471961871, 978-0471961871
    ISBN10: 0471961876

    Number of Pages: 256

    Non Fiction , Mathematics & Science , Education

    Description

    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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