Searches for molecular species on the potential energy surfaces of HCN, H3CO2 and H4CF by the dynamically defined reaction path (DDRP) method

Abstract By using the global path-following dynamically defined reaction path (DDRP) method coupled with the semiempirical quantum chemical MNDO procedure, molecular species and conformers found on the potential energy surfaces of the chemical systems HCN, H 3 CO 2 and H 4 CF have been identified and investigated extensively and comparisons with literary results of other theoretical methods and experiments have been made.