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Quantum Theory of Chemical Reactions: 1: Collision Theory, Reaction Path, Static Indices - Couverture rigide
Synopsis
This treatise is devoted to an analysis of the present state of the quantum theory of chemical reactions. It will be divided into three volumes and will contain the contributions to an international seminar organized by the editors. The first one, is concerned with the fundamental problems which occur when studying a gas phase reaction or a reaction for which the solvent effect is not taken into account. The two first papers show how the collision theory can be used to predict the behaviour of interacting small molecules. For large molecules the complete calculations are not possible. We can only estimate the reaction path by calculating important areas of the potential surfaces. Four papers are concerned with this important pro- cess. Furthermore, in one of these, the electronic reorganization which occurs along the reaction path is carefully analyzed. o papers are devoted to the discussion of general rules as aromaticity rules, symmetry rules. The last two papers are concerned with the electrostatic molecular poten- tial method which is the modern way of using static indices to establish relations between structure and chemical reactivity. 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. SOME RECENT DEVELOPMENTS IN THE MOLECULAR TREATMENT OF ATOM-ATOM COLLISIONS.
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Quantum Theory of Chemical Reactions. 1: Collision Theory, Reaction Path, Static Indices .
Edité par
Reidel Dordrecht, 1980
ISBN 10 : 9027710473
ISBN 13 : 9789027710475
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Vendeur : ralfs-buecherkiste, Herzfelde, MOL, Allemagne
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Cloth. Etat : Gut. 248 Quantentheorie Chemische Reaktion guter Zustand/ good Ex-Library. With ill.and figures. Seiten vereinzelt mit leichten Knicken ha1054624 Sprache: Englisch Gewicht in Gramm: 650. N° de réf. du vendeur 282782
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Quantum Theory of Chemical Reactions 1 (I) Collision Theory Reaction Path Static Indices
Edité par
Reidel, Dordrecht and London, 1980
ISBN 10 : 9027710473
ISBN 13 : 9789027710475
Ancien ou d'occasion
Couverture rigide
Edition originale
Vendeur : Webbooks, Wigtown, Wigtown, Royaume-Uni
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Hard Cover. Etat : Good. No Jacket. First Edition. From an academic library with the usual stamps and labels. Apart from the library evidence a clean tight copy. A00013470. N° de réf. du vendeur A00013470
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Quantum Theory of Chemical Reactions Vol. 1 : Collision Theory, Reaction Path, Static Indices
Edité par
Springer Netherlands, 1979
ISBN 10 : 9027710473
ISBN 13 : 9789027710475
Ancien ou d'occasion
Couverture rigide
Vendeur : Better World Books, Mishawaka, IN, Etats-Unis
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Etat : Good. Former library book; may include library markings. Used book that is in clean, average condition without any missing pages. N° de réf. du vendeur 1940216-6
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Quantum Theory of Chemical Reactions Vol. 1 : Collision Theory, Reaction Path, Static Indices
Edité par
Springer Netherlands, 1979
ISBN 10 : 9027710473
ISBN 13 : 9789027710475
Ancien ou d'occasion
Couverture rigide
Vendeur : Better World Books, Mishawaka, IN, Etats-Unis
Évaluation du vendeur 5 sur 5 étoiles
Etat : Good. Used book that is in clean, average condition without any missing pages. N° de réf. du vendeur 50891624-6
Quantité disponible : 1 disponible(s)
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Quantum Theory of Chemical Reactions 1: Collision Theory, Reaction Path, Static Indices
Edité par
Springer, Dordrecht, 1979
ISBN 10 : 9027710473
ISBN 13 : 9789027710475
Ancien ou d'occasion
Couverture rigide
Vendeur : Mike's Library LLC, Plymouth, PA, Etats-Unis
Évaluation du vendeur 5 sur 5 étoiles
Hardcover. Etat : Very Good. Etat de la jaquette : Very Good-. Library stamps/marks/labels/pocket, dj protector glued to endpapers, otherwise light wear; Dust Jacket spine label, light wear. Solid hardcover.; "Volume I is concerned with the fundamental problems which occur when studying a gas phase reaction or a reaction for which the solvent effect is not taken into account." Contents: Preface; Some Recent Developments in the Molecular Treatment of Atom-Atom Collisions / V Sidis; Recent Theoretical Developments in the Dynamical Study of Mechanistic Details in Organic Reaction / X Chapuisat and Y Jean; Theoretical Study of Some Simple Organic Reactions / Y Jean; Theoretical Studies of SN2 Reactions / A Dedieu and A Veillard; Contribution to the Theoretical Study of Reaction Mechanisms / G Leroy, M Sana, L A Burke and M-T Nguyen; Structure and Reactivity: An Extended Huckel Approach / A Gavezzotti and M Simonetta; Symmetry and the Transition State / J N Murrell; On the Use of Aromaticity Rules, Frontier Orbitals and Correclations Diagrams: Some Difficulties and Unsolved Problems / Nguyen Trong Anh; On the USe of the Electrostatic Molecular Potential in Theoretical Investigations on Chemical Reactivity / J Tomasi; Nucleophilic Affinity of Conjugated Heterocycles in Protonation, Alkylation and Cation Binding / A Pullman; Index of Names; Index of Subjects. ; Quantum Theory Chemical Reactions, 1; Ex-Library; 256 pages. N° de réf. du vendeur 6276
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