Atomic charges for molecular dynamics calculations

J.-P Dognon; S Durand; G Granucci; B Lévy; P Millié; C Rabbe

doi:10.1016/S0166-1280(99)00343-7

Journal Articles Journal of Molecular Structure: THEOCHEM Year : 2000

Atomic charges for molecular dynamics calculations

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1
2

J.-P Dognon

Function : Author

S Durand

Function : Author

G Granucci

Function : Author

B Lévy

Function : Author

P Millié

Function : Author

C Rabbe

Function : Author

Commissariat à l'énergie atomique et aux énergies alternatives

Département de recherche sur les procédés pour la mine et le recyclage du combustible

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Chemical Sciences Theoretical and/or physical chemistry

Catherine Rabbe : Connect in order to contact the contributor

https://hal-cea.archives-ouvertes.fr/cea-03239111

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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cea-03239111 , version 1 (27-05-2021)

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HAL Id : cea-03239111 , version 1
DOI : 10.1016/S0166-1280(99)00343-7

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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, 2000, 507 (1-3), pp.17-23. ⟨10.1016/S0166-1280(99)00343-7⟩. ⟨cea-03239111⟩

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