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Chemical Modelling: Applications and Theory Volume 4: Spr Chemical Modelling (Rsc), cartea 4

Autor Royal Society of Chemistry Editat de Mansel Davies, Alan Hinchliffe
en Limba Engleză Hardback – 30 sep 2006
Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. 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 of major developments in the area. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis. Current subject areas covered are Amino Acids, Peptides and Proteins, Carbohydrate Chemistry, Catalysis, Chemical Modelling. Applications and Theory, Electron Paramagnetic Resonance, Nuclear Magnetic Resonance, Organometallic Chemistry. Organophosphorus Chemistry, Photochemistry and Spectroscopic Properties of Inorganic and Organometallic Compounds. From time to time, the series has altered according to the fluctuating degrees of activity in the various fields, but these volumes remain a superb reference point for researchers.
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Specificații

ISBN-13: 9780854042432
ISBN-10: 0854042431
Pagini: 542
Dimensiuni: 156 x 234 x 30 mm
Greutate: 0.93 kg
Ediția:Edition.
Editura: Royal Society Of Chemistry
Seriile Specialist Periodical Reports, Spr Chemical Modelling (Rsc)


Cuprins

Chapter 1: Computer-Aided Drug Design 2003-2005; Chapter 2: Modelling Biological Systems; Chapter 3: Polarizabilities, Hyperpolarizabilities and Analogous Magnetic Properties; Chapter 4: Applications of Density Functional Theory to Heterogeneous Catalysis; Chapter 5: Numerical Methods in Chemistry; Chapter 6: Determination of Structure in Electronic Structure Calculations; Chapter 7: Simulation of Liquids; Chapter 8: Combinatorial Enumeration in Chemistry; Chapter 9: Many-Body Perturbation Theory and its Application to the Molecular Structure Problem

Descriere

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.

Notă biografică

Prof. Dr. Michael Springborg heads up of the three groups in Physical Chemistry at the University of Saarland where the main activities concentrate on teaching and research. The major part of Prof. Dr. Michael Springborg's research concentrates on the development and application of theoretical methods, including accompanying computer programs, for the determination of materials properties. Quantum theory forms the theoretical foundation for most of our work. The materials of the group's interest range from atoms, via clusters and polymers, to solids. They study their structural, electronic, energetic, and opitcal properties.

Textul de pe ultima copertă

With more than 12,000 articles being published each year in the field of Chemical Modelling it can be difficult to keep abreast of current thinking and developments. The Specialist Periodical Report, Chemical Modelling: Applications and Theory comprises critical and comprehensive literature reviews of all aspects of molecular modelling and covers approximately the last 12 months of published primary literature. An essential resource for any chemical modeller, each volume contains chapters providing a selective review of recent literature, incorporating sufficient historical perspective for students and those new to the field to gain full understanding. Chemical Modelling is now indexed in Scopus.