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Chemical modelling : applications and theory. Vol. 5

Author: Alan Hinchliffe
Publisher: Cambridge : Royal Society of Chemistry, 2008.
Series: Specialist periodical report.
Edition/Format:   eBook : Document : EnglishView all editions and formats
Summary:

Reflecting the growing volume of published work in this field, researchers will find this book an invaluable source of information on current methods and applications.

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Genre/Form: Electronic books
Reviews
Additional Physical Format: Print version:
(OCoLC)222158415
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Alan Hinchliffe
ISBN: 9781847558893 1847558895
OCLC Number: 319518567
Notes: Includes index.
Description: 1 online resource.
Contents: Cover; Front matter; Preface; Contents; Multiscale modelling of biological systems; Computer-aided drug design 2005-2007; Solvation effects; The solid state; Density functional theory studies of alloys in heterogeneous catalysis; Fluctuation relations, free energy calculations and irreversibility; Many-body perturbation theory and its application to the molecular structure problem; Experiment and theory in the determination of molecular hyperpolarizabilities in solution; pNA and MNA in dioxane; The floating spherical Gaussian orbital (FSGO) method; Advances in valence bond theory; Numerical methods in chemistry;
Series Title: Specialist periodical report.
Responsibility: editor, Alan Hinchliffe.

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