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bibliographicCitation Woodcock HL, Hodoscek M, Brooks BR. Exploring SCC-DFTB paths for mapping QM/MM reaction mechanisms. J Phys Chem A. 2007 Jul 05;111(26):5720–8. doi: 10.1021/jp0714217. PMID: 17555303.
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title Exploring SCC-DFTB Paths for Mapping QM/MM Reaction Mechanisms
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