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A Mechanical String Model of Adiabatic Chemical Reactions by Wolfgang Kliesch
A Mechanical String Model of Adiabatic Chemical Reactions by Wolfgang Kliesch
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A Mechanical String Model of Adiabatic Chemical Reactions

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Description

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.
Release date Australia
October 20th, 1998
Audiences
  • Postgraduate, Research & Scholarly
  • Professional & Vocational
  • Undergraduate
Illustrations
VII, 128 p.
Pages
128
Dimensions
140x216x8
ISBN-13
9783540649786
Product ID
12871021

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