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The DFT-CDFT-QTAIM synergy to investigate chemical reactivity

Vincent Tognetti
Chimie Organique et Bioorganique : Réactivité et Analyse

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Chemical Sciences

Madeleine ROUX-MERLIN  : Connect in order to contact the contributor

https://hal-normandie-univ.archives-ouvertes.fr/hal-02388692

Submitted on : Monday, December 2, 2019-9:39:51 AM

Last modification on : Friday, March 24, 2023-2:53:14 PM

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hal-02388692 , version 1 (02-12-2019)

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  • HAL Id : hal-02388692 , version 1

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Vincent Tognetti. The DFT-CDFT-QTAIM synergy to investigate chemical reactivity. International Conference on Density Functional Theory and its Applications (17, 2017), Aug 2017, Tällberg, Sweden. ⟨hal-02388692⟩

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CNRS INSA-ROUEN COMUE-NORMANDIE INC-CNRS UNIROUEN ENSICAEN UNILEHAVRE UNICAEN COBRA INSA-GROUPE
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