Graph Theoretical Approaches to Chemical Reactivity, Danail D. Bonchev; O.G. Mekenyan

Автор: Danail D. Bonchev; O.G. Mekenyan
Название: Graph Theoretical Approaches to Chemical Reactivity
ISBN: 079232837X ISBN-13(EAN): 9780792328377
Издательство: Springer
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Цена: 198450.00 T
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Описание: Concentrates on elucidating chemical reactivity from the viewpoint of molecular topology. This book covers topics such as: the developments in the interplay between graph theory and molecular orbital theory, three dimensional molecular shapes and their changes, and isomerization reactions in organic and inorganic chemistry.

Автор: G?bor N?ray-Szab?; Arieh Warshel
Название: Computational Approaches to Biochemical Reactivity
ISBN: 140200415X ISBN-13(EAN): 9781402004155
Издательство: Springer
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Цена: 113190.00 T
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Описание: Summarises results in the discipline of the computational aspects of biochemical reactivity. This book deals with quantum mechanical models for reactions in solution, ab initio molecular orbital studies on enzymatic reactions, and more. It is useful those working in molecular biophysics, structural biology or structure-based molecular design.

Автор: Mihai V. Putz; D. Michael P. Mingos
Название: Applications of Density Functional Theory to Chemical Reactivity
ISBN: 3642441769 ISBN-13(EAN): 9783642441769
Издательство: Springer
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Цена: 200260.00 T
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Описание: The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding.

Автор: Orlando Tapia; Juan Bertr?n
Название: Solvent Effects and Chemical Reactivity
ISBN: 0792339959 ISBN-13(EAN): 9780792339953
Издательство: Springer
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Цена: 191550.00 T
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Описание: Presents an overview of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. This book treats subjects including continuum solvation models, the theoretical basis for the treatment of solvent effects in density functional theory, and Monte Carlo simulations of chemical reactions in solution.

Автор: Paul G. Mezey; Beverly E. Robertson
Название: Electron, Spin and Momentum Densities and Chemical Reactivity
ISBN: 0792360850 ISBN-13(EAN): 9780792360858
Издательство: Springer
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Цена: 204040.00 T
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Описание: The electron density of a non-degenerate ground state system determines essentially all physical properties of the system. If the functional form of a molecular electron density is known, then various molecular properties affecting reactivity can be determined by quantum chemical computational techniques or alternative approximate methods.

Автор: Paul G. Mezey; Beverly E. Robertson
Название: Electron, Spin and Momentum Densities and Chemical Reactivity
ISBN: 1402004133 ISBN-13(EAN): 9781402004131
Издательство: Springer
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Цена: 204040.00 T
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Описание: The electron density of a non-degenerate ground state system determines essentially all physical properties of the system. If the functional form of a molecular electron density is known, then various molecular properties affecting reactivity can be determined by quantum chemical computational techniques or alternative approximate methods.

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: E. Bergmann; A. Pullman
Название: Chemical and Biochemical Reactivity
ISBN: 9027705542 ISBN-13(EAN): 9789027705549
Издательство: Springer
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Цена: 299070.00 T
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Автор: Michael Moreau; Pierre Turq
Название: Chemical Reactivity in Liquids
ISBN: 1461282977 ISBN-13(EAN): 9781461282976
Издательство: Springer
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Цена: 81050.00 T
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Описание: The advances of recent years in quantum chemistry and statistical mechanics, enhanced by the present availability of powerful and fast compu- ters, are very fast changing this picture, and bringing us really close to a microscopic understanding of chemical equilibria, reaction rates, etc....

Автор: Groult, Henri
Название: Modern Synthesis Processes and Reactivity of Fluorinated Compound
ISBN: 0128037407 ISBN-13(EAN): 9780128037409
Издательство: Elsevier Science
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Цена: 185270.00 T
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Описание:

Modern Synthesis Processes and Reactivity of Fluorinated Compounds focuses on the exceptional character of fluorine and fluorinated compounds. This comprehensive work explores examples taken from all classes of fluorine chemistry and illustrates the extreme reactivity of fluorinating media and the peculiar synthesis routes to fluorinated materials.