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Journal Articles Computational and Theoretical Chemistry Year : 2015

Direct minimization: Alternative to the traditional L 2 norm to derive partial atomic charges

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https://hal.univ-reims.fr/hal-02166721

Submitted on : Thursday, June 27, 2019-10:19:58 AM

Last modification on : Monday, April 22, 2024-9:38:04 AM

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hal-02166721 , version 1 (27-06-2019)

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Thomas Haschka, Eric Hénon, Christophe Jaillet, Laurent Martiny, Catherine Etchebest, et al.. Direct minimization: Alternative to the traditional L 2 norm to derive partial atomic charges. Computational and Theoretical Chemistry, 2015, 1074, pp.50-57. ⟨10.1016/j.comptc.2015.10.008⟩. ⟨hal-02166721⟩

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