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Quantum Theory of Chemical Reactions - 1: Collision Theory, Reaction Path, Static Indices (Paperback, Softcover reprint of the original 1st ed. 1980)
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Quantum Theory of Chemical Reactions - 1: Collision Theory, Reaction Path, Static Indices (Paperback, Softcover reprint of the original 1st ed. 1980)
Series: Quantum Theory Chemical Reactions, 1
Expected to ship within 10 - 15 working days
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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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