In this work,we report implementation of the equation of motion coupled-cluster method for double ionized states(EOMDIP-CC)with spin-orbit coupling(SOC)usin
In this work,we have studied bent and planar M2N2 configuration using the DFT method in a series of complexes [LnM]2(μ-η2:η2-N2)(M=Ta,Nb,Zr,Hf,Mo and W).
A combined approach of the multiconfigurational perturbation theory with Rice-Ramsperger-Kassel-Marcus methodology has been employed to calculate the minimu
Imidazolonepropionase(HutI)is the third enzyme in histidine degradation pathway,which catalyzes the conversion of 4-imidazolone-5-propionic acid(IPA)to N-fo