ASCHI, Massimiliano

ASCHI, Massimiliano  

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A combined experimental and computational study of halogen and hydrogen bonding in molecular salts of 5-Bromocytosine 2021 Aschi, Massimiliano; Toto Brocchi, Giorgia; Portalone, Gustavo
A first principles polarizable water model for molecular simulations: application to a water dimer 2002 Amadei, Andrea; Aschi, Massimiliano; Spezia, Riccardo; DI NOLA, Alfredo
Calculation of the Optical Rotatory Dispersion of solvated alanine by means of the Perturbed Matrix Method 2005 D'Abramo, Marco; Aschi, Massimiliano; DI NOLA, Alfredo; Amadei, Andrea
Charge transfer equilibria of aqueous single stranded DNA 2009 D'Abramo, Marco; Aschi, Massimiliano; Amadei, Andrea
Conformational behaviour of Temporin A and Temporin L in aqueous solution: a computational/experimental study 2006 D'Abramo, Marco; Rinaldi, Andrea C.; Bozzi, Argante; Mignogna, Giuseppina; DI NOLA, Alfredo; Amadei, Andrea; Aschi, Massimiliano
Electronic properties of Formaldehyde in water: a theoretical study 2003 Amadei, Andrea; D'Abramo, Marco; Zazza, Costantino; Aschi, Massimiliano
Experimental results and computational insight into sequential reactions of β-(2-aminophenyl)-α,β-ynones with aryl isocyanates/benzoyl isothiocyanate 2020 Arcadi, Antonio; Aschi, Massimiliano; Chiarini, Marco; Marinelli, Fabio; Marsicano, Vincenzo; Portalone, Gustavo
Extending the perturbed matrix method beyond the dipolar approximation: comparison of different levels of theory 2018 ZANETTI POLZI, Laura; Del Galdo, Sara; Daidone, Isabella; D'Abramo, Marco; Barone, Vincenzo; Aschi, Massimiliano; Amadei, Andrea
Ground and excited electronic state thermodynamics of aqueous carbon monixide: a theoretical study 2005 D'Alessandro, Maira; Marinelli, Fabrizio; D'Abramo, Marco; Aschi, Massimiliano; DI NOLA, Alfredo; Amadei, Andrea
Intramolecular charge transfer in π-conjugated oligomers: a theoretical study on the effect of temperature and oxidation state 2008 Aschi, Massimiliano; D'Alessandro, Maira; Pellegrino, Monica; DI NOLA, Alfredo; D'Abramo, Marco; Amadei, Andrea
Mass Spectrometric and Computational Study of Gaseous Peroxynitric Acid and (HOONO2)H+ Protomers 2000 Aschi, Massimiliano; Attinà, Marina; Cacace, Fulvio; Cartoni, Antonella; Pepi, Federico
On the importance of configurational sampling in theoretical calculation of electronic properties of complex molecular systems: acetone in water 2006 D'Abramo, Marco; Aschi, Massimiliano; DI NOLA, Alfredo; Amadei, Andrea
Photoinduced electron transfer in a dichromophoric peptide: a numerical experiment 2016 Aschi, Massimiliano; D'Abramo, Marco; Amadei, Andrea
Statistical mechanical modelling of chemical reactions in complex systems: the kinetics of the Haem carbon monoxide binding-unbinding reaction in Myoglobin 2007 D'Abramo, Marco; Daidone, Isabella; D'Alessandro, Maira; DI NOLA, Alfredo; Aschi, Massimiliano
Theoretical characterisation of the electronic excitation in liquid water 2005 Aschi, Massimiliano; D'Abramo, Marco; Di Teodoro, Carla; DI NOLA, Alfredo; Amadei, Andrea
Theoretical characterization of electronic states in interacting chemical systems 2009 Amadei, Andrea; D'Alessandro, Maira; D'Abramo, Marco; Aschi, Massimiliano
Theoretical characterization of temperature and density dependence of liquid water electronic excitation energy: Comparison with recent experimental data. 2008 D'Abramo, Marco; DI NOLA, Alfredo; Aschi, Massimiliano; Amadei, Andrea
Theoretical modeling of chemical reactions in complex environments: The intramolecular proton transfer in aqueous malonaldehyde 2006 Aschi, Massimiliano; D'Abramo, Marco; Ramondo, Fabio; Daidone, Isabella; D'Alessandro, Maira; DI NOLA, Alfredo; Amadei, Andrea
Theoretical modeling of the valence UV spectra of 1,2,3-triazine and uracil in solution 2006 Zazza, Costantino; Amadei, Andrea; Sanna, Nico; Grandi, Andrea; Chillemi, Giovanni; DI NOLA, Alfredo; D'Abramo, Marco; Aschi, Massimiliano
Theoretical modeling of vibroelectronic quantum states in complex molecular systems: Solvated carbon monoxide, a test case 2005 Amadei, Andrea; Marinelli, Fabrizio; D'Abramo, Marco; D'Alessandro, Maira; Anselmi, Massimiliano; DI NOLA, Alfredo; Aschi, Massimiliano