Density function theoretical study on the complex involved in Th atom-activated C

Density function theoretical study on the complex involved in Th atom-activated C–C bond in C₂H₆

Wang Qing-Qing¹, Li Peng², Gao Tao^{1, †,}, Wang Hong-Yan³, Ao Bing-Yun⁴

The TDOS, PDOS, and OPDOS curves for all special points in the reaction of TH + C₂H₆ computed at the B3LYP/SDD levels of theory.