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Article Dans Une Revue Journal of Chemical Theory and Computation Année : 2019

Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes

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hal-02288980 , version 1 (16-09-2019)

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Felix Plasser, Sebastian Mai, Maria Fumanal, Etienne Gindensperger, Chantal Daniel, et al.. Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes. Journal of Chemical Theory and Computation, 2019, 15 (9), pp.5031-5045. ⟨10.1021/acs.jctc.9b00525⟩. ⟨hal-02288980⟩
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