Parametrization and benchmark of the range separated LC-DFTB2 method for organic molecules
In: ISSN: 0065-7727 ; Abstracts of Papers of the American Chemical Society ; https://univ-lyon1.hal.science/hal-02289872 ; Abstracts of Papers of the American Chemical Society, 2018, 255, 2018
academicJournal
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International audience
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Parametrization and benchmark of the range separated LC-DFTB2 method for organic molecules
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Autor/in / Beteiligte Person: | Vuong, V. Q. ; Kuriappan, J. ; Kubillus, M. ; Kranz, J. ; Mast, T. ; Niehaus, Thomas ; Irle, S. ; Elstner, M. ; The University of Tennessee Knoxville ; Karlsruhe Institute of Technology (KIT) ; Institut Lumière Matière Villeurbanne (ILM) ; Université Claude Bernard Lyon 1 (UCBL) ; Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS) ; Oak Ridge National Laboratory Oak Ridge (ORNL) ; UT-Battelle, LLC |
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Zeitschrift: | ISSN: 0065-7727 ; Abstracts of Papers of the American Chemical Society ; https://univ-lyon1.hal.science/hal-02289872 ; Abstracts of Papers of the American Chemical Society, 2018, 255, 2018 |
Veröffentlichung: | HAL CCSD ; American Chemical Society, 2018 |
Medientyp: | academicJournal |
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