Journal of Chemical Physics, Vol.102, No.21, 8506-8532, 1995
The Anharmonic-Force Field and Equilibrium Molecular-Structure of Ketene
Keywords:FLEXIBLE TRANSITION-STATES;VIBRATION-ROTATION INTERACTION;CONNECTED TRIPLE EXCITATIONS;HIGHER-DERIVATIVE METHODS;THEORETICAL PREDICTION;UNIMOLECULAR DISSOCIATIONS;ELECTRON CORRELATION;INFRARED-SPECTRUM;PHOTOFRAGMENTATION DYNAMICS;ABINITIO DETERMINATION