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ORCID"New QM/MM implementation of the DFTB3 method in the gromacs package."
Tomás Kubar, Kai Welke, Gerrit Groenhof (2015)
- Tomás Kubar, Kai Welke, Gerrit Groenhof
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New QM/MM implementation of the DFTB3 method in the gromacs package. J. Comput. Chem. 36(26): 1978-1989 (2015)
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