A DFT study on structures, frontier molecular orbitals and UV-vis spectra of RuX(PPh3)(NHCPh2)L (X = Tp and Cp; L = Cl and N3)

A DFT study on structures, frontier molecular orbitals and UV-vis spectra of RuX(PPh3)(NHCPh2)L (X = Tp and Cp; L = Cl and N3)

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 121, 5 March 2014, Pages 650-656

Tsang-Hsiu Wang, I-Teng Wang, Wen-Lin Huang, Li-Yu Huang,