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pro vyhledávání: '"Zixi Zhong"'
Autor:
Jingxin Wang, Hansun Fang, Zixi Zhong, Huajun Huang, Ximei Liang, Yufan Yuan, Wenwen Zhou, Davide Vione
Publikováno v:
Molecules, Vol 29, Iss 19, p 4522 (2024)
The focus of pKa calculations has primarily been on stable molecules, with limited studies comparing radical cations and stable cations. In this study, we comprehensively investigate models with implicit solvent and explicit water molecules, direct a
Externí odkaz:
https://doaj.org/article/d1410198019a42efa386521c2b0f7f04
