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New generation force field for molecular dynamic simulation of lanthanide and actinide complexes in solution

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Material chemistry

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https://hal-cea.archives-ouvertes.fr/cea-02362730

Submitted on : Thursday, November 14, 2019-9:05:39 AM

Last modification on : Friday, June 2, 2023-3:14:38 PM

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cea-02362730 , version 1 (14-11-2019)

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  • HAL Id : cea-02362730 , version 1

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Aude Marjolin, Jean-Pierre Dognon. New generation force field for molecular dynamic simulation of lanthanide and actinide complexes in solution. RCTF2014 (14ème Rencontre des Chimistes Théoriciens Francophones), Jun 2014, Paris, France. ⟨cea-02362730⟩

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CEA UPMC CNRS LCT PUBNIMBE INC-CNRS IRAMIS-NIMBE SORBONNE-UNIVERSITE SU-SCIENCES IRAMIS GS-PHYSIQUE CHIMIE-SU
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