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.
Product Identifiers
Publisher
Springer-Verlag Berlin and Heidelberg Gmbh & Co. Kg
ISBN-13
9783540649786
eBay Product ID (ePID)
94812444
Product Key Features
Author
Wolfgang Kliesch
Publication Name
A Mechanical String Model of Adiabatic Chemical Reactions