Journal of Chemical Physics, Vol.102, No.17, 6706-6718, 1995
Locating Transition Structures by Mode Following - A Comparison of 6 Methods on the Ar-8 Lennard-Jones Potential
Keywords:QUADRATIC STEEPEST DESCENT;ENERGY SURFACES;REACTION-PATH;SADDLE-POINTS;STATIONARY-POINTS;GRADIENT EXTREMALS;EQUILIBRIUM GEOMETRIES;STATE STRUCTURES;OPTIMIZATION;CLUSTERS