Sfoglia per Autore
Statistical mechanics and thermodynamics of simulated ionic solutions
2002 D'Alessandro, Maira; D'Abramo, Marco; Brancato, Giuseppe; DI NOLA, Alfredo; Amadei, Andrea
Electronic properties of Formaldehyde in water: a theoretical study
2003 Amadei, Andrea; D'Abramo, Marco; Zazza, Costantino; Aschi, Massimiliano
On the use of the quasi Gaussian entropy theory in the study of simulated dilute solutions.
2004 D'Abramo, Marco; D'Alessandro, Maira; Amadei, Andrea
Theoretical study of the thermodynamics of a solvated peptide: Contryphan Vn
2005 D'Alessandro, Maira; D'Abramo, Marco; Paci, Maurizio; 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
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
Characterization of liquid behaviour by means of local density fluctuations
2005 D'Abramo, Marco; D'Alessandro, Maira; DI NOLA, Alfredo; Roccatano, Danilo; Amadei, Andrea
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
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 α-helix and β-hairpin folding kinetics
2005 Daidone, Isabella; D'Abramo, Marco; DI NOLA, Alfredo; Amadei, Andrea
Myoglobin as a case study for molecular simulations in the presence of a microwave electromagnetic field
2006 Apollonio, Francesca; D'Abramo, Marco; Liberti, Micaela; Amadei, Andrea; DI NOLA, Alfredo; D'Inzeo, Guglielmo
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 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
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
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
Molecular simulations for studying microwaves field effects in ligand binding properties in myoglobin
2007 Pellegrino, Monica; D'Alessandro, Maira; D'Abramo, Marco; Apollonio, Francesca; Liberti, Micaela; Amadei, Andrea; Aschi, Massimiliano; Di Nola, Alfredo; D'Inzeo, Guglielmo
Theoretical prediction of thermodynamic equilibrium constants of chemical reactions in water.
2007 D'Abramo, Marco; Aschi, Massimiliano; Marinelli, Fabrizio; DI NOLA, Alfredo; Amadei, Andrea
Theoretical study of intramolecular charge transfer in π-conjugated oligomers
2007 Amadei, Andrea; D'Abramo, Marco; DI NOLA, Alfredo; Arcadi, Antonio; Cerichelli, Giorgio; Aschi, Massimiliano
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
Mixed quantum-classical methods for molecular simulations of biochemical reactions with microwave fields: the case study of myoglobin
2008 Apollonio, Francesca; Liberti, Micaela; Amadei, Andrea; Aschi, Massimiliano; Pellegrino, Monica; D'Alessandro, Maira; D'Abramo, Marco; DI NOLA, Alfredo; D'Inzeo, Guglielmo
Titolo | Data di pubblicazione | Autore(i) | File |
---|---|---|---|
Statistical mechanics and thermodynamics of simulated ionic solutions | 2002 | D'Alessandro, Maira; D'Abramo, Marco; Brancato, Giuseppe; DI NOLA, Alfredo; Amadei, Andrea | |
Electronic properties of Formaldehyde in water: a theoretical study | 2003 | Amadei, Andrea; D'Abramo, Marco; Zazza, Costantino; Aschi, Massimiliano | |
On the use of the quasi Gaussian entropy theory in the study of simulated dilute solutions. | 2004 | D'Abramo, Marco; D'Alessandro, Maira; Amadei, Andrea | |
Theoretical study of the thermodynamics of a solvated peptide: Contryphan Vn | 2005 | D'Alessandro, Maira; D'Abramo, Marco; Paci, Maurizio; 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 | |
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 | |
Characterization of liquid behaviour by means of local density fluctuations | 2005 | D'Abramo, Marco; D'Alessandro, Maira; DI NOLA, Alfredo; Roccatano, Danilo; Amadei, Andrea | |
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 | |
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 α-helix and β-hairpin folding kinetics | 2005 | Daidone, Isabella; D'Abramo, Marco; DI NOLA, Alfredo; Amadei, Andrea | |
Myoglobin as a case study for molecular simulations in the presence of a microwave electromagnetic field | 2006 | Apollonio, Francesca; D'Abramo, Marco; Liberti, Micaela; Amadei, Andrea; DI NOLA, Alfredo; D'Inzeo, Guglielmo | |
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 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 | |
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 | |
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 | |
Molecular simulations for studying microwaves field effects in ligand binding properties in myoglobin | 2007 | Pellegrino, Monica; D'Alessandro, Maira; D'Abramo, Marco; Apollonio, Francesca; Liberti, Micaela; Amadei, Andrea; Aschi, Massimiliano; Di Nola, Alfredo; D'Inzeo, Guglielmo | |
Theoretical prediction of thermodynamic equilibrium constants of chemical reactions in water. | 2007 | D'Abramo, Marco; Aschi, Massimiliano; Marinelli, Fabrizio; DI NOLA, Alfredo; Amadei, Andrea | |
Theoretical study of intramolecular charge transfer in π-conjugated oligomers | 2007 | Amadei, Andrea; D'Abramo, Marco; DI NOLA, Alfredo; Arcadi, Antonio; Cerichelli, Giorgio; Aschi, Massimiliano | |
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 | |
Mixed quantum-classical methods for molecular simulations of biochemical reactions with microwave fields: the case study of myoglobin | 2008 | Apollonio, Francesca; Liberti, Micaela; Amadei, Andrea; Aschi, Massimiliano; Pellegrino, Monica; D'Alessandro, Maira; D'Abramo, Marco; DI NOLA, Alfredo; D'Inzeo, Guglielmo |
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