Journal of Chemical Physics, Vol.102, No.17, 6812-6821, 1995
Ab-Initio Studies of the Complexes of Benzene with Carbon-Monoxide and Formaldehyde
Keywords:ELECTRON CORRELATION-ENERGY;MOLECULAR-DYNAMICS;AQUEOUS-SOLUTION;HYDROGEN-BONDS;GAS-PHASE;THEORETICAL CALCULATIONS;PERTURBATION-THEORY;COADSORBED BENZENE;POTENTIAL SURFACE;FORCE-FIELD