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Article Dans Une Revue Theoretical Chemistry Accounts: Theory, Computation, and Modeling Année : 2022

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hal-03628398 , version 1 (04-04-2022)

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Maysa Yusef-Buey, Tzonka Mineva, Mathias Rapacioli. Coupling density functional based tight binding with class 1 force fields in a hybrid QM/MM scheme. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2022, 141 (3), pp.16. ⟨10.1007/s00214-022-02878-6⟩. ⟨hal-03628398⟩
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