Journal of Chemical Physics, Vol.102, No.19, 7504-7518, 1995
An Ab-Initio Investigation on Transition-States and Reactivity of Chloroethane with Oh Radical
Keywords:GAUSSIAN-BASIS SETS;CORRELATED WAVE-FUNCTIONS;GAS-PHASE REACTIONS;ABINITIO CALCULATIONS;STRATOSPHERIC OZONE;PERTURBATION-THEORY;ORGANIC-COMPOUNDS;RATE COEFFICIENTS;SPIN PROJECTION;BARRIER HEIGHT