uMBD: A Materials-Ready Dispersion Correction That Uniformly Treats Metallic, Ionic, and van Der Waals Bonding - Université de Lorraine
Journal Articles Journal of the American Chemical Society Year : 2020

uMBD: A Materials-Ready Dispersion Correction That Uniformly Treats Metallic, Ionic, and van Der Waals Bonding

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Chemical Sciences Physics [physics]

François Dehez  : Connect in order to contact the contributor

https://hal.univ-lorraine.fr/hal-03603443

Submitted on : Wednesday, March 9, 2022-7:05:15 PM

Last modification on : Thursday, April 11, 2024-1:08:15 PM

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hal-03603443 , version 1 (09-03-2022)

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Minho Kim, Won June Kim, Timothy Gould, Eok Kyun Lee, Sébastien Lebègue, et al.. uMBD: A Materials-Ready Dispersion Correction That Uniformly Treats Metallic, Ionic, and van Der Waals Bonding. Journal of the American Chemical Society, 2020, 142 (5), pp.2346--2354. ⟨10.1021/jacs.9b11589⟩. ⟨hal-03603443⟩

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