- 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.
![A Mechanical String Model of Adiabatic Chemical Reactions](http://img.images-bn.com/static/redesign/srcs/images/grey-box.png?v11.10.4)
A Mechanical String Model of Adiabatic Chemical Reactions
128![A Mechanical String Model of Adiabatic Chemical Reactions](http://img.images-bn.com/static/redesign/srcs/images/grey-box.png?v11.10.4)
A Mechanical String Model of Adiabatic Chemical Reactions
128Paperback
Product Details
ISBN-13: | 9783540649786 |
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Publisher: | Springer Berlin Heidelberg |
Publication date: | 11/25/1998 |
Series: | Lecture Notes in Chemistry , #69 |
Pages: | 128 |
Product dimensions: | 0.00(w) x 0.00(h) x (d) |