Sfoglia per Afferenza Dipartimento di Scienze fisiche e chimiche
A theoretical modeling of the valence UV spectra of 1,2,3-triazine and uracil in solution
2006-01-01 Costantino, Zazza; Andrea, Amadei; Nico, Sanna; Andrea, Grandi; Giovanni, Chillemi; Marco, D’Abramo; Aschi, Massimiliano
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 Marco, D'Abramo; Aschi, Massimiliano; Andrea, Amadei
Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: The vertical transition approximation
2013-01-01 Maira, D'Alessandro; Aschi, Massimiliano; Claudia, Mazzuca; Antonio, Palleschi; Andrea, Amadei
Theoretical modeling of vibro-electronic quantum states in complex molecular systems: solvated carbon monoxide, a test case.
2005-01-01 A., Amadei; F., Marinelli; M., D'Abramo; M., D'Alessandro; M., Anselmi; A., Di Nola; Aschi, Massimiliano
Theoretical modelling of enzyme reactions: the thermodynamics of formation of compound 0 in horseradish peroxidase
2008-01-01 Aschi, Massimiliano; Palma, A. A. M. A. D. E. I. A.; N., Sanna; S. TATOLI AND M., Aschi
Theoretical optical spectroscopy of complex systems
2013-01-01 Conte A., Mosca; Violante, C.; Missori, M.; Bechstedt, F.; Teodonio, L.; Ippoliti, E.; Carloni, P.; Guidoni, Leonardo; Pulci, O.
Theoretical prediction of thermodynamic equilibrium constants of chemical reactions in water
2007-01-01 M., D'Abramo; Aschi, Massimiliano; F., Marinelli; A. DI NOLA AND A., Amadei
Theoretical S1 ← S0 Absorption Energies of the Anionic Forms of Oxyluciferin by Variational Monte Carlo and Many-Body Green’s Function Theory
2017-01-01 Coccia, Emanuele; Varsano, Daniele; Guidoni, Leonardo
A theoretical study of alpha-84 phycocyanobilin chromophore from the thermophilic cyanobacterium synechococcus elongatus
2007-01-01 Costantino, Zazza*; Nico, Sanna; Aschi, Massimiliano
Theoretical study of intramolecular charge transfer in π-conjugated oligomers
2007-01-01 Amadei, A; Dabramo, M; DI NOLA, A; Arcadi, A; Cerichelli, Giorgio; Aschi, Massimiliano
Theoretical Study of Magnon Spin Currents in Chromium Trihalide Hetero-bilayers: Implications for Magnonic and Spintronic Devices
2022-01-01 Ghader, D; Gao, H; Radaelli, Pg; Continenza, A; Stroppa, A
Theoretical-computational characterization of the temperature-dependent folding thermodynamics of a β-hairpin peptide
2016-01-01 Daidone, Isabella; ZANETTI POLZI, Laura; Thukral, Lipi; Alekozai, Emal M.; Amadei, Andrea
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 photo-induced charge separation spectra and charge recombination kinetics in solution.
2014-01-01 Piacente, G; Amadei, A; D'Abramo, M; Daidone, Isabella; Aschi, Massimiliano
Theoretical-computational modeling of quantum vibrational states of polyatomic systems in complex environment
2010-01-01 Aschi, Massimiliano; A., Amadei
Theoretical-computational modelling of infrared spectra in peptides and proteins: a new frontier for combined theoretical-experimental investigations
2010-01-01 Amadei, A; Daidone, Isabella; Di Nola, A; Aschi, Massimiliano
Theoretical-computational modelling of the vibrational relaxation of small inorganic species in condensed phase
2022-01-01 Amadei, A.; Aschi, M.
Theoretical–Computational Modeling of CD Spectra of Aqueous Monosaccharides by Means of Molecular Dynamics Simulations and Perturbed Matrix Method
2023-01-01 Aschi, M.; Palombi, L.; Amadei, A.
Theory of chemical fluctuations in thermal explosions
1985-01-01 Mecozzi, Antonio; DE PASQUALE, F.
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