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A Mechanical String Model of Adiabatic Chemical Reactions de Wolfgang Kliesch

A Mechanical String Model of Adiabatic Chemical Reactions: Lecture Notes in Chemistry, cartea 69

Autor Wolfgang Kliesch
en Limba Engleză Paperback – 20 oct 1998
The main subjects are:
- a comprehensive mathematical description of molecular systems,
- a new reaction path concept,
- an algorithm for following the reaction path.
The reaction path's tangent is determined by an excitation vector and the saddle points surrounding a minimizer can be localized without further information. A procedure appropriate to trace these reaction paths is presented.
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Specificații

ISBN-13: 9783540649786
ISBN-10: 3540649786
Pagini: 140
Ilustrații: VII, 128 p.
Greutate: 0.17 kg
Editura: Springer Berlin, Heidelberg
Colecția Springer
Seria Lecture Notes in Chemistry

Locul publicării:Berlin, Heidelberg, Germany

Public țintă

Research

Cuprins

1 Introduction.- 2 Molecular Systems.- 3 Reaction Path Concept.- 4 A Mechanical String Model of Chemical Reactions.- 5 Equilibrial Path Tracing.- 6 Applications.

Textul de pe ultima copertă

The main subjects are: - a comprehensive mathematical description of molecular system, - a new reaction path concept, - an algorithm for following the reaction path. The reaction path's tangent is determined by an excitation vector and the saddle points surrounding a minimizer can be localized without further information. A procedure appropriate to trace these reaction paths is presented.