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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
Contributor : Jean-Marc Ferez Connect in order to contact the contributor
Submitted on : Thursday, June 27, 2019 - 10:19:58 AM
Last modification on : Tuesday, December 14, 2021 - 9:04:03 AM

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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, Elsevier, 2015, 1074, pp.50-57. ⟨10.1016/j.comptc.2015.10.008⟩. ⟨hal-02166721⟩

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