11573/1678126 - 2023 -
P1 push-pull dye as a case study in QM/MM theoretical characterization for dye-sensitized solar cell organic chromophores** D'annibale, V.; Chen, C. G.; Bonomo, M.; Dini, D.; D'abramo, M. - 01a Articolo in rivista
paper: CHEMISTRYSELECT (John Wiley & Sons, Inc) pp. - - issn: 2365-6549 - wos: WOS:000962465000001 (1) - scopus: 2-s2.0-85152012814 (2)
11573/1670874 - 2022 -
Effects of environmental and electric perturbations on the pKa of thioredoxin cysteine 35: a computational study D'annibale, V.; Fracassi, D.; Marracino, P.; D'inzeo, G.; D'abramo, M. - 01a Articolo in rivista
paper: MOLECULES (Basel: MDPI
Berlin: Springer, 1996-) pp. 6454- - issn: 1420-3049 - wos: WOS:000866949300001 (0) - scopus: 2-s2.0-85139873970 (1)
11573/1664892 - 2022 -
Theoretical evaluation of sulfur-based reactions as a model for biological antioxidant defense De Sciscio, Maria Laura; D’Annibale, Valeria; D’Abramo, Marco - 01a Articolo in rivista
paper: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (Basel: MDPI Center) pp. - - issn: 1422-0067 - wos: WOS:000896382800001 (2) - scopus: 2-s2.0-85143774799 (3)
11573/1610374 - 2021 -
Theoretical characterization of the reduction potentials of nucleic acids in solution D'annibale, V.; Nardi, A. N.; Amadei, A.; D'abramo, M. - 01a Articolo in rivista
paper: JOURNAL OF CHEMICAL THEORY AND COMPUTATION (Washington, D.C. : American Chemical Society, 2005-) pp. 1301-1307 - issn: 1549-9618 - wos: WOS:000629135700003 (14) - scopus: 2-s2.0-85101804136 (13)
11573/1672225 - 2020 -
Probing the dye-semiconductor interface in dye-sensitized NiO solar cells Potts, N. T. Z.; Sloboda, T.; Wachtler, M.; Wahyuono, R.; D'annibale, V.; Dietzek, B.; Cappel, U. B.; Gibson, E. A. - 01a Articolo in rivista
paper: JOURNAL OF CHEMICAL PHYSICS ONLINE ([Woodbury, N.Y.] : American Institute of Physics) pp. 184704- - issn: 1089-7690 - wos: WOS:000591897300003 (15) - scopus: 2-s2.0-85096154588 (17)