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A Mechanical String Model of Adiabatic Chemical Reactions

A Mechanical String Model of Adiabatic Chemical Reactions

Brand
Springer Nature
Manufacturer
N/A
Part Number
0
GTIN
9783540649786
Condition
New
Product Description

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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