How are the charge transfer descriptors affected by the quality of the underpinning electronic density?

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Submitted on : Thursday, August 1, 2019 - 11:03:11 AM
Last modification on : Saturday, August 3, 2019 - 1:41:19 AM

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Federica Maschietto, Marco Campetella, Michael Frisch, Giovanni Scalmani, Carlo Adamo, et al.. How are the charge transfer descriptors affected by the quality of the underpinning electronic density?. Journal of Computational Chemistry, Wiley, 2018, 39 (12), pp.735-742. ⟨10.1002/jcc.25144⟩. ⟨hal-02234404⟩

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