Sfoglia per SSD
Theoretical modeling of chemical reactions in complex environments: The intramolecular proton transfer in aqueous malonaldehyde
2006-01-01 Aschi, M; D'Abramo, M; Ramondo, F; Daidone, I; D'Alessandro, M; Di Nola, A; Amadei, A
Theoretical modeling of enzyme reactions: The thermodynamics of formation of compound 0 in horseradish peroxidase
2008-01-01 Zazza, C; Amadei, A; Palma, A; Sanna, N; Tatoli, S; Aschi, M
Theoretical modeling of redox potentials of biomolecules
2022-02-05 Chen, Cg; Nardi, An; Amadei, A; D'Abramo, M
Theoretical modeling of the absorption spectrum of aqueous riboflavin
2017-01-01 Zanetti-Polzi, L; Aschi, M; Daidone, I; Amadei, A
Theoretical modeling of the spectroscopic absorption properties of luciferin and oxyluciferin: A critical comparison with recent experimental studies
2012-01-01 Anselmi, M; Marocchi, S; Aschi, M; Amadei, A
Theoretical modeling of the valence UV spectra of 1,2,3-triazine and uracil in solution
2006-01-01 Zazza, C; Amadei, A; Sanna, N; Grandi, A; Chillemi, G; Di Nola, A; D'Abramo, M; Aschi, M
Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: Explicit treatment of the vibronic transitions
2014-01-01 D'Abramo, M; Aschi, M; Amadei, A
Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: the vertical transition approximation
2013-09-01 D'Alessandro, M; Aschi, M; Mazzuca, C; Palleschi, A; Amadei, A
Theoretical modeling of vibroelectronic quantum states in complex molecular systems: Solvated carbon monoxide, a test case
2005-01-01 Amadei, A; Marinelli, F; D'Abramo, M; D'Alessandro, M; Anselmi, M; Di Nola, A; Aschi, M
Theoretical Models of Diastereomeric Noncovalent Electron-Transfer Reactions
1987-01-01 Pispisa, B; Palleschi, A; Paradossi, G
Theoretical prediction of thermodynamic equilibrium constants of chemical reactions in water
2007-01-01 D'Abramo, M; Aschi, M; Marinelli, F; Di Nola, A; Amadei, A
Theoretical study of intramolecular charge transfer in pi-conjugated oligomers
2007-01-01 Amadei, A; D'Abramo, M; Nola, A; Arcadi, A; Cerichelli, G; Aschi, M
Theoretical study of ionic liquids based on the cholinium cation: ab initio simulations of their condensed phases
2016-01-01 Campetella, M; Bodo, E; Montagna, M; De Santis, S; Gontrani, L
Theoretical-computational characterization of the temperature-dependent folding thermodynamics of a β-hairpin peptide
2016-01-01 Daidone, I; Zanetti-Polzi, L; Thukral, L; Alekozai, Em; Amadei, A
Theoretical-computational modeling of charge transfer and intersystem crossing reactions in complex chemical systems
2018-01-01 Amadei, A; Aschi, M
Theoretical-computational modeling of gas-state thermodynamics in flexible molecular systems: ionic liquids in the gas phase as a case study
2022-01-01 Amadei, A; Ciccioli, A; Filippi, A; Fraschetti, C; Aschi, M
Theoretical-computational modeling of infrared spectra in peptides and proteins: a new frontier for combined theoretical-experimental investigations
2010-01-01 Amadei, A; Daidone, I; Di Nola, A; Aschi, M
Theoretical-computational modeling of photo-induced charge separation spectrum and charge recombination kinetics in solution.
2014-01-01 Piacente, G; Amadei, A; D'Abramo, M; Daidone, I; Aschi, M
Theoretical-computational modelling of the electric field effects on protein unfolding thermodynamics
2015-01-01 Amadei, A; Marracino, P
Theoretical-computational modelling of the L-alanine CD spectrum in water
2022-01-01 Chen, Cg; Giustini, M; Scipioni, A; Amadei, A; D'Abramo, M
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