Journal of Chemical Physics, Vol.101, No.12, 10655-10665, 1994
Excited-States and Photochemical Reactivity of Fulvene - A Theoretical-Study
Keywords:POTENTIAL-ENERGY SURFACES;MOLECULAR-ORBITAL METHODS;VALENCE BASIS-SETS;MC-SCF;SIMULTANEOUS-OPTIMIZATION;CONJUGATED ISOMERS;MICROWAVE-SPECTRUM;BENZENE;MNDOC;PENTAFULVENES