Parametrization and benchmark of the range separated LC-DFTB2 method for organic molecules

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https://hal-univ-lyon1.archives-ouvertes.fr/hal-02289872
Contributor : Marie-Gabrielle Chautard <>
Submitted on : Tuesday, September 17, 2019 - 10:59:17 AM
Last modification on : Monday, February 17, 2020 - 1:59:31 PM

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V. Q. Vuong, J. Kuriappan, M. Kubillus, J. Kranz, T. Mast, et al.. Parametrization and benchmark of the range separated LC-DFTB2 method for organic molecules. Journal of Chemical Theory and Computation, American Chemical Society, 2018, 255, ⟨10.1021/acs.jctc.7b00947⟩. ⟨hal-02289872⟩

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