Journal of Chemical Physics, Vol.102, No.8, 3188-3201, 1995
Reaction-Path Potential and Vibrational Frequencies in Terms of Curvilinear Internal Coordinates
Keywords:TRANSITION-STATE THEORY;QUADRATIC STEEPEST DESCENT;CHEMICAL-REACTION RATES;GF MATRIX-METHOD;MULTIDIMENSIONAL TUNNELING PROBABILITIES;INTRINSIC REACTION COORDINATE;DIRECT DYNAMICS CALCULATIONS;ENERGY SURFACES;RATE CONSTANTS;POLYATOMIC-MOLECULES