Zum Hauptinhalt springen Zur Suche springen Zur Hauptnavigation springen

A Mechanical String Model of Adiabatic Chemical Reactions

Wolfgang Kliesch
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.
Autor: Kliesch, Wolfgang
EAN: 9783540649786
Sprache: Englisch
Seitenzahl: 128
Produktart: kartoniert, broschiert
Verlag: Springer Springer, Berlin Springer Berlin Heidelberg
Schlagworte: Molekularstruktur Reaktionen (chem., physikal.)
Gewicht: 220 g