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Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review

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https://hal.archives-ouvertes.fr/hal-02129887
Contributor : Nicolas Elefantis <>
Submitted on : Wednesday, May 15, 2019 - 1:47:38 PM
Last modification on : Thursday, March 19, 2020 - 11:52:04 AM

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Aurélien de la Lande, Aurelio Alvarez-Ibarra, Karim Hasnaoui, Fabien Cailliez, Xiaojing Wu, et al.. Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review. Molecules, MDPI, 2019, 24 (9), pp.1653. ⟨10.3390/molecules24091653⟩. ⟨hal-02129887⟩

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