Reaction Kinetics and Catalysis Letters, Vol.78, No.1, 59-64, 2003
Structure effects of substituents located on the cyclohexene molecular skeleton in catalytic hydrogenations
Structure effects of various alkylcyclohexenes in heterogeneously catalyzed reactions are discussed. Experimentally evaluated adsorptivity and reactivity were interpreted by means of molecular modelling. Trends in these parameters are correlated with the properties of frontier orbitals.