Sfoglia per Autore
Calculation of the elastic coherent neutron scattering spectra from molecular dynamics data: the NaCN plastic crystal
1997 Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore
A molecular dynamics study of translational-rotation coupling in the NaCN plastic cystal
1997 Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore
Glycerol condensed phases Part I. A molecular dynamics study
1999 Chelli, Riccardo; Procacci, Piero; Cardini, Gianni; Della Valle, G. Raffaele; Califano, Salvatore
Electrical response in chemical potential equalization schemes
1999 Chelli, Riccardo; Procacci, Piero; Righini, Roberto; Califano, Salvatore
Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method
1999 Chelli Riccardo; Ciabatti, Sonia; Cardini, Gianni; Righini, Roberto; Procacci, Piero
Glycerol condensed phases part II. A molecular dynamics study of the conformational structure and hydrogen bonding
1999 Chelli, Riccardo; Procacci, Piero; Cardini, Gianni; Califano, Salvatore
Esperimenti numerici: metodi e applicazioni
2000 Chelli, Riccardo
Simulated structure, dynamics and vibrational spectra of liquid benzene
2000 Chelli, Riccardo; Cardini, Gianni; Procacci, Piero; Righini, Roberto; Califano, Salvatore; Albrecht, Andreas
Erratum: “Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method” [J. Chem. Phys. 111, 4218 (1999)]
2000 Chelli, Riccardo; Ciabatti, Sonia; Cardini, Gianni; Righini, Roberto; Procacci, Piero
Density functional calculation of structural and vibrational properties of glycerol
2000 Chelli, Riccardo; Gervasio, L. Francesco; Gellini, Cristina; Procacci, Piero; Cardini, Gianni; Schettino, Vincenzo
Conformational distribution of gas-phase glycerol
2000 Chelli, Riccardo; Gervasio, L. Francesco; Gellini, Cristina; Procacci, Piero; Cardini, Gianni; Schettino, Vincenzo
The fast dynamics of benzene in the liquid phase. Part I. Optical Kerr effect experimental investigation
2001 Ricci, Marilena; Bartolini, Paolo; Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore; Righini, Roberto
Anisole-CO2 a planar van der Waals complex: Comparison of different spectroscopic and theoretical results
2001 Pietraperzia, Giangaetano; Eisenhardt, G. Christopher; Becucci, Maurizio; Baumgartel, Helmut; Castellucci, Emilio; Califano, Salvatore; Cardini, Gianni; Chelli, Riccardo
Excited state photoelectron spectroscopy of anisole
2001 Eisenhardt, G. Christopher; Gemechu, A. S.; Baumgartel, Helmut; Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore
Determination of the potential of mean force of aromatic amino acid complexes in various solvents using molecular dynamics simulations: The case of the tryptophan-histidine pair
2001 Gervasio, L. Francesco; Chelli, Riccardo; Marchi, Massimo; Procacci, Piero; Schettino, Vincenzo
The fast dynamics of benzene in the liquid phase. Part II. A molecular dynamics simulation
2001 Chelli, Riccardo; Cardini, Gianni; Ricci, Marilena; Bartolini, Paolo; Righini, Roberto; Califano, Salvatore
A transferable polarizable electrostatic force field for molecular mechanics based on the chemical potential equalization principle
2002 Chelli, Riccardo; Procacci, Piero
The nature of intermolecular interactions between aromatic amino acid residues
2002 Gervasio, L. Francesco; Chelli, Riccardo; Procacci, Piero; Schettino, Vincenzo
Is the T-shaped toluene dimer a stable intermolecular complex?
2002 Gervasio, L. Francesco; Chelli, Riccardo; Procacci, Piero; Schettino, Vincenzo
Towards a polarizable force field for molecular liquids
2002 Chelli, Riccardo; Righini, Roberto; Califano, Salvatore; Procacci, Piero
Titolo | Data di pubblicazione | Autore(i) | File |
---|---|---|---|
Calculation of the elastic coherent neutron scattering spectra from molecular dynamics data: the NaCN plastic crystal | 1997 | Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore | |
A molecular dynamics study of translational-rotation coupling in the NaCN plastic cystal | 1997 | Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore | |
Glycerol condensed phases Part I. A molecular dynamics study | 1999 | Chelli, Riccardo; Procacci, Piero; Cardini, Gianni; Della Valle, G. Raffaele; Califano, Salvatore | |
Electrical response in chemical potential equalization schemes | 1999 | Chelli, Riccardo; Procacci, Piero; Righini, Roberto; Califano, Salvatore | |
Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method | 1999 | Chelli Riccardo; Ciabatti, Sonia; Cardini, Gianni; Righini, Roberto; Procacci, Piero | |
Glycerol condensed phases part II. A molecular dynamics study of the conformational structure and hydrogen bonding | 1999 | Chelli, Riccardo; Procacci, Piero; Cardini, Gianni; Califano, Salvatore | |
Esperimenti numerici: metodi e applicazioni | 2000 | Chelli, Riccardo | |
Simulated structure, dynamics and vibrational spectra of liquid benzene | 2000 | Chelli, Riccardo; Cardini, Gianni; Procacci, Piero; Righini, Roberto; Califano, Salvatore; Albrecht, Andreas | |
Erratum: “Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method” [J. Chem. Phys. 111, 4218 (1999)] | 2000 | Chelli, Riccardo; Ciabatti, Sonia; Cardini, Gianni; Righini, Roberto; Procacci, Piero | |
Density functional calculation of structural and vibrational properties of glycerol | 2000 | Chelli, Riccardo; Gervasio, L. Francesco; Gellini, Cristina; Procacci, Piero; Cardini, Gianni; Schettino, Vincenzo | |
Conformational distribution of gas-phase glycerol | 2000 | Chelli, Riccardo; Gervasio, L. Francesco; Gellini, Cristina; Procacci, Piero; Cardini, Gianni; Schettino, Vincenzo | |
The fast dynamics of benzene in the liquid phase. Part I. Optical Kerr effect experimental investigation | 2001 | Ricci, Marilena; Bartolini, Paolo; Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore; Righini, Roberto | |
Anisole-CO2 a planar van der Waals complex: Comparison of different spectroscopic and theoretical results | 2001 | Pietraperzia, Giangaetano; Eisenhardt, G. Christopher; Becucci, Maurizio; Baumgartel, Helmut; Castellucci, Emilio; Califano, Salvatore; Cardini, Gianni; Chelli, Riccardo | |
Excited state photoelectron spectroscopy of anisole | 2001 | Eisenhardt, G. Christopher; Gemechu, A. S.; Baumgartel, Helmut; Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore | |
Determination of the potential of mean force of aromatic amino acid complexes in various solvents using molecular dynamics simulations: The case of the tryptophan-histidine pair | 2001 | Gervasio, L. Francesco; Chelli, Riccardo; Marchi, Massimo; Procacci, Piero; Schettino, Vincenzo | |
The fast dynamics of benzene in the liquid phase. Part II. A molecular dynamics simulation | 2001 | Chelli, Riccardo; Cardini, Gianni; Ricci, Marilena; Bartolini, Paolo; Righini, Roberto; Califano, Salvatore | |
A transferable polarizable electrostatic force field for molecular mechanics based on the chemical potential equalization principle | 2002 | Chelli, Riccardo; Procacci, Piero | |
The nature of intermolecular interactions between aromatic amino acid residues | 2002 | Gervasio, L. Francesco; Chelli, Riccardo; Procacci, Piero; Schettino, Vincenzo | |
Is the T-shaped toluene dimer a stable intermolecular complex? | 2002 | Gervasio, L. Francesco; Chelli, Riccardo; Procacci, Piero; Schettino, Vincenzo | |
Towards a polarizable force field for molecular liquids | 2002 | Chelli, Riccardo; Righini, Roberto; Califano, Salvatore; Procacci, Piero |
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