A Mechanical String Model of Adiabatic Chemical Reactions: 69 (Lecture Notes in Chemistry, 69) - Softcover

Kliesch, Wolfgang

 
9783540649786: A Mechanical String Model of Adiabatic Chemical Reactions: 69 (Lecture Notes in Chemistry, 69)

Synopsis

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.

"synopsis" may belong to another edition of this title.

From the Back Cover

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.

"About this title" may belong to another edition of this title.