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Journal Articles Theoretical Chemistry Accounts: Theory, Computation, and Modeling Year : 2012

From quantum mechanics to force fields: new methodologies for the classical simulation of complex systems

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hal-02127244 , version 1 (13-05-2019)

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Jean-Philip Piquemal, Kenneth Jordan. From quantum mechanics to force fields: new methodologies for the classical simulation of complex systems. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2012, 131 (4), ⟨10.1007/s00214-012-1207-x⟩. ⟨hal-02127244⟩
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