Description

Book Synopsis
Chemical Modelling: Applications and Theory comprises critical literature reviews of all aspects of molecular modelling. Molecular modelling in this context refers to modelliing the structure, properties and reactions of atoms, molecules and materials. Each chapter provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area.

Table of Contents
Towards novel boron nanostructural materials; Aromaticity and conceptual density functional theory; Mechanically induced chemistry: first principles simulation; Inorganic nanotubes; Numerical methods in chemistry

Chemical Modelling: Applications and Theory

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A Hardback by Jan-Ole Joswig, Irmgard Frank, Pratim Kumar Chattaraj

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    View other formats and editions of Chemical Modelling: Applications and Theory by Jan-Ole Joswig

    Publisher: Royal Society of Chemistry
    Publication Date: 09/09/2011
    ISBN13: 9781849731539, 978-1849731539
    ISBN10: 1849731535
    Also in:
    Quantum and theoretical chemistry

    Description

    Book Synopsis
    Chemical Modelling: Applications and Theory comprises critical literature reviews of all aspects of molecular modelling. Molecular modelling in this context refers to modelliing the structure, properties and reactions of atoms, molecules and materials. Each chapter provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area.

    Table of Contents
    Towards novel boron nanostructural materials; Aromaticity and conceptual density functional theory; Mechanically induced chemistry: first principles simulation; Inorganic nanotubes; Numerical methods in chemistry

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