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The DFT-CDFT-QTAIM synergy to investigate chemical reactivity

Vincent Tognetti 1
1 COBRA - Chimie Organique et Bioorganique : Réactivité et Analyse
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Conference papers
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https://hal-normandie-univ.archives-ouvertes.fr/hal-02388692
Contributor : Madeleine Roux-Merlin <>
Submitted on : Monday, December 2, 2019 - 9:39:51 AM
Last modification on : Thursday, July 2, 2020 - 3:29:01 AM

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  • HAL Id : hal-02388692, version 1

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

Citation

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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