Mechanical String Model of Adiabatic Chemical Reactions |
|
| Author:
| Kliesh, W. |
| Series title: | Lecture Notes in Chemistry Ser. |
| ISBN: | 978-3-540-64978-6 |
| Publication Date: | Jan 1998 |
| Publisher: | Springer
|
| Book Format: | Paperback |
| List Price: | AUD $207.95 |
Book Description:
|
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.
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.