Wolfgang Kliesch
Springer Berlin Heidelberg
e druk, 1998
9783540649786
A Mechanical String Model of Adiabatic Chemical Reactions
Specificaties
Paperback, 128 blz.
|
Engels
Springer Berlin Heidelberg |
e druk, 1998
ISBN13: 9783540649786
Rubricering
Onderdeel van serie
Lecture Notes in Chemistry
Verwachte levertijd ongeveer 8 werkdagen
Samenvatting
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.
Specificaties
ISBN13:9783540649786
Taal:Engels
Bindwijze:paperback
Aantal pagina's:128
Uitgever:Springer Berlin Heidelberg
Inhoudsopgave
1 Introduction.- 2 Molecular Systems.- 3 Reaction Path Concept.- 4 A Mechanical String Model of Chemical Reactions.- 5 Equilibrial Path Tracing.- 6 Applications.