Electrostatic Modeling of the Tunable Potential Difference between the Two Consecutive Oxidation Steps of Dinickel Bisfulvalene
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https://figshare.com/articles/dataset/Electrostatic_Modeling_of_the_Tunable_Potential_Difference_between_the_Two_Consecutive_Oxidation_Steps_of_Dinickel_Bisfulvalene/2253292
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资源简介:
The
tuning by medium effect of the potential difference between the two
consecutive electron transfers of dinickel bisfulvalene is qualitatively
modeled by the Born solvation model and the Coulomb charge attraction/repulsion
law. Calls are made for a better electrostatic understanding of the
electrochemical experiment and for accurate modeling with theoretical
chemistry.
创建时间:
2016-02-16



