ISSN:
1432-2234
Keywords:
Reaction topology
;
Potential surfaces
;
Reaction mechanisms
;
Critical points
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract Topologies are introduced into the nuclear configuration space R of molecular systems, based upon equipotential contour hypersurfaces on the otential energy hypersurface E. Critical level topologies T fc and T fc′, based upon the number and distribution of various critical points of E, are of particular importance, since they represent convenient yet rigorous mathematical models for relations between elementary reaction mechanisms, and for relations between open sets of nuclear geometries which are classically accessible at a given total energy.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00550329
