Автор: R. Daudel; A. Pullman; L. Salem; A. Veillard Название: Quantum Theory of Chemical Reactions ISBN: 9027714673 ISBN-13(EAN): 9789027714671 Издательство: Springer Рейтинг: Цена: 139750.00 T Наличие на складе: Есть у поставщика Поставка под заказ. 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: Alan Vincent Название: Molecular Symmetry and Group Theory : A Programmed Introduction to Chemical Applications, 2nd Edition ISBN: 0471489395 ISBN-13(EAN): 9780471489399 Издательство: Wiley Рейтинг: Цена: 34790.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: This substantially revised and expanded new edition of the bestselling textbook, addresses the difficulties that can arise with the mathematics that underpins the study of symmetry, and acknowledges that group theory can be a complex concept for students to grasp.
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 Рейтинг: Цена: 77090.00 T Наличие на складе: Невозможна поставка. 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: 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 Рейтинг: Цена: 285830.00 T Наличие на складе: Невозможна поставка. 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.
Автор: Yuriko Aoki; Yuuichi Orimoto; Akira Imamura Название: Quantum Chemical Approach for Organic Ferromagnetic Material Design ISBN: 3319498274 ISBN-13(EAN): 9783319498270 Издательство: Springer Рейтинг: Цена: 51230.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: This brief provides an overview of theoretical research in organic ferromagnetic material design using quantum chemical approaches based on molecular orbital theory from primary H ckel to ab initio levels of theory. Most of the content describes the authors' approach to identify simple and efficient guidelines for magnetic design, which have not been described in other books. Individual chapters cover quantum chemistry methods that may be used to find hydrocarbon systems with degenerate non-bonding molecular orbitals that interact with each other, to identify high-spin-preferred systems using an analytical index that allows for simple design of high-spin systems as well as to analyze the effect of high-spin stability through orbital interactions. The extension of these methods to large systems is discussed.This book is a valuable resource for students and researchers who are interested in quantum chemistry related to magnetic property.
Автор: D.C. Clary Название: The Theory of Chemical Reaction Dynamics ISBN: 9027722021 ISBN-13(EAN): 9789027722027 Издательство: Springer Рейтинг: Цена: 234790.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Proceedings of the NATO Advanced Research Workshop, Orsay, France, June 17-30, 1985
Автор: R. Daudel Название: Quantum Theory of the Chemical Bond ISBN: 9027702640 ISBN-13(EAN): 9789027702647 Издательство: Springer Рейтинг: Цена: 121110.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: The present text is a rational analysis of the concept of the chemical bond by means of the principles of wave mechanics.
Автор: R. Daudel Название: Quantum Theory of Chemical Reactivity ISBN: 9027704201 ISBN-13(EAN): 9789027704207 Издательство: Springer Рейтинг: Цена: 81050.00 T Наличие на складе: Есть у поставщика Поставка под заказ. 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: Oleksandr Loboda Название: Quantum-chemical studies on Porphyrins, Fullerenes and Carbon Nanostructures ISBN: 3642447759 ISBN-13(EAN): 9783642447754 Издательство: Springer Рейтинг: Цена: 104480.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: ГЇВїВЅ This book presents theoretical studies of electronic structure, optical and spectroscopic properties of a number of compounds. It presents new, faster calculation methods for applications in quantum-chemical theory of electronic structures.
Автор: R. Daudel; A. Pullman; L. Salem; A. Veillard Название: Quantum Theory of Chemical Reactions ISBN: 9400995180 ISBN-13(EAN): 9789400995185 Издательство: Springer Рейтинг: Цена: 81050.00 T Наличие на складе: Есть у поставщика Поставка под заказ. 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.
Автор: R. Daudel; A. Pullman; L. Salem; A. Veillard Название: Quantum Theory of Chemical Reactions ISBN: 9401097186 ISBN-13(EAN): 9789401097185 Издательство: Springer Рейтинг: Цена: 93160.00 T Наличие на складе: Есть у поставщика Поставка под заказ.
Казахстан, 010000 г. Астана, проспект Туран 43/5, НП2 (офис 2) ТОО "Логобук" Тел:+7 707 857-29-98 ,+7(7172) 65-23-70 www.logobook.kz
