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The Reaction Path in Chemistry: Current Approaches and Perspectives (Hardcover, 1995 ed.)
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The Reaction Path in Chemistry: Current Approaches and Perspectives (Hardcover, 1995 ed.)
Series: Understanding Chemical Reactivity, 16
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The so-called reaction path (RP) with respect to the potential
energy or the Gibbs energy ("free enthalpy") is one of the most
fundamental concepts in chemistry. It significantly helps to
display and visualize the results of the complex microscopic
processes forming a chemical reaction. This concept is an implicit
component of conventional transition state theory (TST). The model
of the reaction path and the TST form a qualitative framework which
provides chemists with a better understanding of chemical reactions
and stirs their imagination. However, an exact calculation of the
RP and its neighbourhood becomes important when the RP is used as a
tool for a detailed exploring of reaction mechanisms and
particularly when it is used as a basis for reaction rate theories
above and beyond TST. The RP is a theoretical instrument that now
forms the "theoretical heart" of "direct dynamics." It is
particularly useful for the interpretation of reactions in common
chemical systems. A suitable definition of the RP of potential
energy surfaces is necessary to ensure that the reaction theories
based on it will possess sufficiently high quality. Thus, we have
to consider three important fields of research: - Analysis of
potential energy surfaces and the definition and best calculation
of the RPs or - at least - of a number of selected and chemically
interesting points on it. - The further development of concrete
vers ions of reaction theory beyond TST which are applicable for
common chemical systems using the RP concept.
General
Imprint: |
Springer
|
Country of origin: |
Netherlands |
Series: |
Understanding Chemical Reactivity, 16 |
Release date: |
August 1995 |
First published: |
1995 |
Editors: |
D. Heidrich
|
Dimensions: |
235 x 155 x 19mm (L x W x T) |
Format: |
Hardcover
|
Pages: |
300 |
Edition: |
1995 ed. |
ISBN-13: |
978-0-7923-3589-4 |
Categories: |
Books >
Science & Mathematics >
Chemistry >
Physical chemistry >
General
Promotions
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LSN: |
0-7923-3589-9 |
Barcode: |
9780792335894 |
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