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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Modular integration of MRSF-TDDFT, NAMD, and QM/MM for excited-state dynamics on the OpenQP platform

Mohsen Mazaherifar1, Woojin Park1, Simone Bonfrate2

  • 1Department of Chemistry, Kyungpook National University, Daegu 41566, South Korea. cchoi@knu.ac.kr.

Faraday Discussions
|September 25, 2026
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