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

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https://hal.univ-lorraine.fr/hal-03603443
Contributor : François Dehez Connect in order to contact the contributor
Submitted on : Wednesday, March 9, 2022 - 7:05:15 PM
Last modification on : Thursday, March 10, 2022 - 3:32:36 AM

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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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