Bücher von 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.

Contemporary chemical reaction theory is the characterization of Potential Energy Hypersurfaces (PES). It provides tools for studying chemical reactions by calculating reaction paths and related curves. The book addresses students and researchers in Theoretical Chemistry, Chemical Kinetics and related fields.