Quantum Theory of Chemical Reactions, R. Daudel; A. Pullman; L. Salem; A. Veillard

Автор: R. Daudel
Название: Quantum Theory of the Chemical Bond
ISBN: 9027705283 ISBN-13(EAN): 9789027705280
Издательство: Springer
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Цена: 107130.00 T
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Описание: The present text is a rational analysis of the concept of the chemical bond by means of the principles of wave mechanics.

Автор: Bader, Richard F.W. (Professor of Chemistry, McMas
Название: Atoms in Molecules: A Quantum Theory
ISBN: 0198558651 ISBN-13(EAN): 9780198558651
Издательство: Oxford Academ
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Цена: 77090.00 T
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Описание: The purpose of this monograph is to show that a theory can be developed to underpin the molecular structure hypothesis - that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics.

Автор: R. Daudel; A. Pullman; L. Salem; A. Veillard
Название: Quantum Theory of Chemical Reactions
ISBN: 9027714673 ISBN-13(EAN): 9789027714671
Издательство: Springer
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Цена: 139750.00 T
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Описание: The third and last volume of this treatise IS concerned with important applications of the quantum theory of chemical reactions to chemisorption, catalysis and biochemical reactions. The book begins with an important paper devoted to the theoretical background of heterogeneous catalysis. It is followed by two papers showing typical applications of wave mechanics to the analysis of chemisorption. Catalysed gas-solid reactions are chosen to illustrate gas, organic solid state reaction and some aspects of the mechanism of the FISCHER-TROPSCH synthesis are presented. The second part of the book is devoted to biochemical applications of quantum chemistry. Two papers are concerned with the quantum theory of enzyme activity. Two others present recent progress of quantum pharmacology. Finally an important contribution to the theory of intermolecular forces is made in the view of possible applications to biochemical problems. vii R. Daudel, A. Pullman, L. Salem, and A. Viellard reds.), Quantum Theory o/Chemical Reactions, Volume III, vii. Copyright (c) 1982 by D. Reidel Publishing Company. THEORETICAL BACKGROUND OF HETEROGENEOUS CATALYSIS J.E.Germain Laboratoire de Catalyse Appliquee et Cinetique Heterogene L.A. 231 du Centre National de la Recherche Scientifique Universite Claude Bernard Lyon I, E.S.C.I.L. 43 Boulevard du 11 Novembre 1918, 69622 Villeurbanne Cedex. Heterogeneous Catalysis is a surface Kinetic phenomenon by which a chemical reaction between molecules of a fluid phase is accelerated (activity) and oriented (selectivity) by contact with a solid phase (catalysts, without change of the solid.

Автор: R. Daudel; A. Pullman; L. Salem; A. Veillard
Название: Quantum Theory of Chemical Reactions
ISBN: 9400995180 ISBN-13(EAN): 9789400995185
Издательство: Springer
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Цена: 81050.00 T
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Описание: Volume II will be devoted to a detailed analysis of the role of the solvent and volume III will present important applications as reaction mechanisms, photochemistry, catalysis, biochemical reactions and drug design.

Название: Molecular Orbitals and Organic Chemical Reactions
ISBN: 0470746599 ISBN-13(EAN): 9780470746592
Издательство: Wiley
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Цена: 46410.00 T
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Описание: Winner of the PROSE Award for Chemistry & Physics 2010 Acknowledging the very best in professional and scholarly publishing, the annual PROSE Awards recognise publishers` and authors` commitment to pioneering works of research and for contributing to the conception, production, and design of landmark works in their fields.

Автор: Takatsuka Kazuo, Yonehara Takehiro, Hanasaki Kota
Название: Chemical Theory Beyond the Born-Oppenheimer Paradigm: Nonadiabatic Electronic and Nuclear Dynamics in Chemical Reactions
ISBN: 9814619647 ISBN-13(EAN): 9789814619646
Издательство: World Scientific Publishing
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Цена: 147840.00 T
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Описание: This unique volume offers a clear perspective of the relevant methodology relating to the chemical theory of the next generation beyond the Born-Oppenheimer paradigm.

Автор: S. G. Christov
Название: Collision Theory and Statistical Theory of Chemical Reactions
ISBN: 3540100121 ISBN-13(EAN): 9783540100126
Издательство: Springer
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Цена: 83850.00 T
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Описание: The increasing information in this field during the last decades has stimulated the elaboration of the methods for evaluating the potential energy of the reacting systems as well as the creation of new methods for calculation of reaction probabili- ties (or cross sections) and rate constants.

Автор: R. Daudel
Название: Quantum Theory of the Chemical Bond
ISBN: 9027702640 ISBN-13(EAN): 9789027702647
Издательство: Springer
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Цена: 121110.00 T
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Описание: The present text is a rational analysis of the concept of the chemical bond by means of the principles of wave mechanics.

Автор: Fleming, Ian
Название: Molecular orbitals and organic chemical reactions
ISBN: 0470746580 ISBN-13(EAN): 9780470746585
Издательство: Wiley
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Цена: 131950.00 T
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Описание: Winner of the PROSE Award for Chemistry & Physics 2010 Acknowledging the very best in professional and scholarlypublishing, the annual PROSE Awards recognise publishers` andauthors` commitment to pioneering works of research and forcontributing to the conception, production, and design of landmarkworks in their fields.

Автор: R. Daudel
Название: Quantum Theory of Chemical Reactivity
ISBN: 9027704201 ISBN-13(EAN): 9789027704207
Издательство: Springer
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Цена: 81050.00 T
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Описание: Quantum Theory of Chemical Reactivity may be read without reference to the fact that it is actually the third of three volumes of a treatise on quantum chemistry, the science resulting from the implementation of mathematical laws in the realm of molecular populations.

Автор: Vladimir A. Babkin, Gennady Efremovich Zaikov, A.
Название: Quantum-Chemical Calculation of Unique Molecular Systems vol.1
ISBN: 1926895754 ISBN-13(EAN): 9781926895758
Издательство: Taylor&Francis
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Цена: 285830.00 T
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Описание:

The major goals of quantum chemistry include increasing the accuracy of the results for small molecular systems and increasing the size of large molecules that can be processed, which is limited by scaling considerations--the computation time increases as a power of the number of atoms. This book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of computational chemistry. Contributions range from new methods to novel applications of existing methods to gain an understanding of the concepts.