An Assessment of Long-Range Corrected Density Functional Approximations in the Calculation of the Reduction Potentials of Ni(S2C2H2)2, Ni(Se2C2H2)2, Ni(S2C2H2)(N2C2H4), and Ni(Se2C2H2)(N2C2H4) Complexes
收藏资源简介:
The xyz coordinates of the Ni(S<sub>2</sub>C<sub>2</sub>H<sub>2</sub>)<sub>2</sub>, Ni(Se<sub>2</sub>C<sub>2</sub>H<sub>2</sub>)<sub>2</sub>, Ni(S<sub>2</sub>C<sub>2</sub>H<sub>2</sub>)(N<sub>2</sub>C<sub>2</sub>H<sub>4</sub>), and Ni(Se<sub>2</sub>C<sub>2</sub>H<sub>2</sub>)(N<sub>2</sub>C<sub>2</sub>H<sub>4</sub>) Complexes discussed in An Assessment of Long-Range Corrected Density Functional Approximations in the Calculation of the Reduction Potentials of Ni(S<sub>2</sub>C<sub>2</sub>H<sub>2</sub>)<sub>2</sub>, Ni(Se<sub>2</sub>C<sub>2</sub>H<sub>2</sub>)<sub>2</sub>, Ni(S<sub>2</sub>C<sub>2</sub>H<sub>2</sub>)(N<sub>2</sub>C<sub>2</sub>H<sub>4</sub>), and Ni(Se<sub>2</sub>C<sub>2</sub>H<sub>2</sub>)(N<sub>2</sub>C<sub>2</sub>H<sub>4</sub>) Complexes



