Produktdetaljer
ISBN
9783540649786
Publisert
1998-10-20
Utgiver
Vendor
Springer-Verlag Berlin and Heidelberg GmbH & Co. K
Aldersnivå
Research, UU, UP, P, 05, 06
Språk
Product language
Engelsk
Format
Product format
Heftet
Forfatter
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.
- 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.
Les mer
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 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.
Les mer
1 Introduction.- 2 Molecular Systems.- 3 Reaction Path Concept.- 4 A Mechanical String Model of Chemical Reactions.- 5 Equilibrial Path Tracing.- 6 Applications.
The main subjects are: - a comprehensive mathematical description of molecular system, - 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.
Les mer
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Les mer
Produktdetaljer
ISBN
9783540649786
Publisert
1998-10-20
Utgiver
Vendor
Springer-Verlag Berlin and Heidelberg GmbH & Co. K
Aldersnivå
Research, UU, UP, P, 05, 06
Språk
Product language
Engelsk
Format
Product format
Heftet
Forfatter