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Atomic charges for molecular dynamics calculations

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https://hal-cea.archives-ouvertes.fr/cea-03239111
Contributor : Catherine Rabbe <>
Submitted on : Thursday, May 27, 2021 - 1:46:45 PM
Last modification on : Friday, May 28, 2021 - 3:39:40 AM

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J.-P Dognon, S Durand, G Granucci, B Lévy, P Millié, et al.. Atomic charges for molecular dynamics calculations. Journal of Molecular Structure: THEOCHEM, Elsevier, 2000, 507 (1-3), pp.17-23. ⟨10.1016/S0166-1280(99)00343-7⟩. ⟨cea-03239111⟩

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