"Probing the range of applicability of structure- and energy-adjusted QM/MM ..."

Hans Georg Gallmetzer, Thomas S. Hofer (2022)

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DOI: 10.1002/JCC.26830

access: open

type: Journal Article

metadata version: 2024-10-06

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Hans Georg Gallmetzer, Thomas S. Hofer:
Probing the range of applicability of structure- and energy-adjusted QM/MM link bonds II: Optimized link bond parameters for density functional tight binding approaches. J. Comput. Chem. 43(11): 746-756 (2022)

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