Zobrazeno 1 - 10
of 363
pro vyhledávání: '"TPSSTPSS"'
Autor:
Pezzola, Silvia1 (AUTHOR) silvia.pezzola@uniroma2.it, Venanzi, Mariano1 (AUTHOR), Galloni, Pierluca1 (AUTHOR), Conte, Valeria1 (AUTHOR) valeria.conte@uniroma2.it, Sabuzi, Federica1 (AUTHOR) valeria.conte@uniroma2.it
Publikováno v:
Molecules. Mar2024, Vol. 29 Issue 6, p1255. 10p.
Publikováno v:
Molecules, Vol 29, Iss 6, p 1255 (2024)
The selection of a “perfect tool” for the theoretical determination of acid-base dissociation constants (Ka) is still puzzling. Recently, we developed a user-friendly model exploiting CAM-B3LYP for determining pKa with impressive reliability. Her
Externí odkaz:
https://doaj.org/article/363c28b5c42f4f19be2ee540561b9715
Autor:
Chinh Thi Ngo
Publikováno v:
Vietnam Journal of Science and Technology. 54:299
Antioxidant properties of ergothioneine (ESH) have been investigated via hydrogen atomtransfer (HAT), single electron transfer-proton transfer (SET-PT) and sequential proton losselectron transfer (SPLET) mechanisms. Three new DFT methods including M0
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::94e7b81fecfb6fe8ab2c905fb2eec521
https://doi.org/10.15625/2525-2518/54/2c/11850
https://doi.org/10.15625/2525-2518/54/2c/11850
Autor:
Safi, Zaki S.1 (AUTHOR) zaki.safi@gmail.com, Wazzan, Nuha2 (AUTHOR)
Publikováno v:
Scientific Reports. 10/22/2022, Vol. 12 Issue 1, p1-12. 12p.
Autor:
Safi, Zaki1 (AUTHOR) zaki.safi@gmail.com, Wazzan, Nuha2 (AUTHOR)
Publikováno v:
Journal of Physical Organic Chemistry. Nov2023, Vol. 36 Issue 11, p1-16. 16p.
Autor:
Holtomo, Olivier1,2 (AUTHOR) holtomoo@gmail.com, Motapon, Ousmanou2 (AUTHOR), Nsangou, Mama3 (AUTHOR)
Publikováno v:
International Journal of Quantum Chemistry. 12/15/2020, Vol. 120 Issue 24, p1-14. 14p.
Autor:
Emori, Wilfred1,2 (AUTHOR), Louis, Hitler3,4 (AUTHOR), Adalikwu, Stephen A.3 (AUTHOR), Timothy, Rawlings A.3,4 (AUTHOR), Cheng, Chun-Ru1,5 (AUTHOR), Gber, Terkumbur E.3,4 (AUTHOR), Agwamba, Ernest C.3,6 (AUTHOR), Owen, Aniekan E.3 (AUTHOR), Ling, Liu5 (AUTHOR), Offiong, Offiong E.4 (AUTHOR), Adeyinka, Adedapo S.7 (AUTHOR)
Publikováno v:
Polycyclic Aromatic Compounds. 2023, Vol. 43 Issue 7, p5958-5975. 18p.
Autor:
Bucio-Vásquez, Maria Alvina, Fuentes-Figueroa, Miguel Ángel, Hernández-Barragan, Angelina, Zepeda-Vallejo, Luis Gerardo, Burgueño-Tapia, Eleuterio, Joseph-Nathan, Pedro
Publikováno v:
Natural Product Communications; Aug2024, Vol. 19 Issue 8, p1-8, 8p
Publikováno v:
Optica Applicata. 2010, Vol. 40 Issue 3, p601-608. 8p.
Publikováno v:
Journal of Molecular Modeling; Sep2015, Vol. 21 Issue 9, p1-13, 13p