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Article Dans Une Revue Chemical Physics Année : 2018

Coordinate systems and kinetic energy operators for multi-configurational time-dependent Hartree calculations studying reactions of methane

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hal-02018407 , version 1 (13-02-2019)

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Daniela Schäpers, Bin Zhao, Uwe Manthe. Coordinate systems and kinetic energy operators for multi-configurational time-dependent Hartree calculations studying reactions of methane. Chemical Physics, 2018, 509, pp.37-44. ⟨10.1016/j.chemphys.2018.02.025⟩. ⟨hal-02018407⟩

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