Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density

Corentin Lefebvre; Gaëtan Rubez; Hassan Khartabil; Jean-Charles Boisson; Julia Contreras-García; Eric Henon

doi:10.1039/C7CP02110K

Journal articles

Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density

Corentin Lefebvre ¹ Gaëtan Rubez ^{2, 1, 3} Hassan Khartabil ¹ Jean-Charles Boisson ² Julia Contreras-García ⁴ Eric Henon ¹

1 ICMR - Institut de Chimie Moléculaire de Reims - UMR 7312

2 CRESTIC - Centre de Recherche en Sciences et Technologies de l'Information et de la Communication - EA 3804

3 Atos Bull [Paris]

4 LCT - Laboratoire de chimie théorique

Document type :

Journal articles

Domain :

Chemical Sciences / Theoretical and/or physical chemistry

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https://hal.univ-reims.fr/hal-02505160
Contributor : Eric Hénon Connect in order to contact the contributor
Submitted on : Thursday, October 14, 2021 - 7:23:25 AM
Last modification on : Friday, January 7, 2022 - 3:53:36 AM
Long-term archiving on: : Saturday, January 15, 2022 - 6:08:38 PM

Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density

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Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density

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