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A Mechanical String Model of Adiabatic Chemical Reactions
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A Mechanical String Model of Adiabatic Chemical Reactions

This is an exploration of a mechanical string model of adiabatic chemical reactions. Its main focus includes: a comprehensive mathematical description of molecular systems; a new reaction path concept; and 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 for tracing these reaction paths is presented.
Författare
Wolfgang Kliesch
ISBN
9783540649786
Språk
Engelska
Vikt
310 gram
Utgivningsdatum
1998-10-20
Sidor
128