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A Mechanical String Model of Adiabatic Chemical Reactions
Paperback
Series: Lecture Notes in Chemistry, Book 69
Medical ReferenceChemistryPhysics
ISBN13: 9783540649786
Publisher: Springer Nature
Published: Oct 20 1998
Pages: 128
Weight: 0.37
Height: 0.30 Width: 5.50 Depth: 8.50
Language: English
- 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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