In homogeneous catalysis, the catalyst is in the same phase as the reactant. The number of collisions between reactants and catalyst is at a maximum.In a patent, 1317-39-1, name is Copper(I) oxide, introducing its new discovery. category: copper-catalyst
Theoretical study of the magnetic interaction for M-O-M type metal oxides. Comparison of broken-symmetry approaches
The unrestricted Hartree-Fock (UHF) and hybrid-density functional theory (DFT) calculations have been carried out for the metal oxides such as copper oxides and nickel oxides. In order to elucidate magnetic properties of the species, the effective exchange integrals (Jab) have been obtained by the total energy difference between the highest and lowest spin states in several computational schemes with and without spin projection. The mixing ratios of the exchange correlation functionals in the hybrid DFT method have been reoptimized so as to reproduce the Jab values for strongly correlated oxides. The natural orbital analysis has also been performed for elucidation of symmetry and occupation numbers of the magnetic orbitals. From these calculated results, we discuss characteristics of the magnetic interactions for metal oxides in the strong correlation regime.
The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 1317-39-1 is helpful to your research. category: copper-catalyst
Reference£º
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”