"Cartesian constraints in QM/MM optimizations."

Luis López-Sosa, Patrizia Calaminici, Andreas M. Köster (2023)

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DOI: 10.1002/JCC.27202

access: open

type: Journal Article

metadata version: 2024-03-20

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Luis López-Sosa, Patrizia Calaminici, Andreas M. Köster:
Cartesian constraints in QM/MM optimizations. J. Comput. Chem. 44(30): 2358-2368 (2023)

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