10.19261/cjm.2016.11(1).10 Siakaa, A. Federal University, Dutsin-ma, Katsina, Nigeria Uzairu, A. Ahmadu Bello University, Zaria, Nigeria, Nigeria Idris, S. Ahmadu Bello University, Zaria, Nigeria, Nigeria Abba, H. Federal University, Dutsin-ma, Katsina, Nigeria Instrumentul Bibliometric National 2016 1857-1727 semicarbazone kinetics bi- and unimolecular step transition step spontaneity 544.42+546 2016-06-22 Journal article Thermodynamic and kinetic mechanisms of forming six semicarbazones have been investigated computationally by DFT B3LYP method. All the reactions proceed via two transitions and include two consecutive steps: bimolecular and unimolecular. The computed transition steps have varying equilibrium constants values, enthalpy of activation and Gibbs energy of activation, depending on the semicarbazone involved. Also depending on the semicarbazones involved some of the consecutive steps are found to have varying enthalpy of reactions and spontaneity. application/pdf