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
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https://figshare.com/articles/dataset/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/17207444/1
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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
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figshare
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2021-12-15
