CHELLI, RICCARDO

CHELLI, RICCARDO  

Chimica 'Ugo Schiff' - DICUS  

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Risultati 1 - 20 di 107 (tempo di esecuzione: 0.058 secondi).
Titolo Data di pubblicazione Autore(i) File
A fluorescent receptor for halide recognition: clues for the design of anion chemosensors 2015 Chelli, Riccardo; Pietraperzia, Giangaetano; Bencini, Andrea; Giorgi, Claudia; Lippolis, Vito; Salvi, Pier Remigio; Gellini, Cristina
A molecular dynamics study of translational-rotation coupling in the NaCN plastic cystal 1997 Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore
A photochromic azobenzene peptidomimetic of a β-turn model peptide structure as a conformational switch 2019 Nuti F.; Gellini C.; Larregola M.; Squillantini L.; Chelli R.; Salvi P.R.; Lequin O.; Pietraperzia G.; Papini A.M.
A potential of mean force estimator based on nonequilibrium work exponential averages 2009 Chelli, Riccardo; Procacci, Piero
A study on the anisole-water complex by molecular beam-electronic spectroscopy and molecular mechanics calculations 2004 Becucci, Maurizio; Pietraperzia, Giangaetano; Pasquni, Massimiliano; Piani, Giovanni; Zoppi, Angela; Chelli, Riccardo; Castellucci, Emilio; Demtroeder, Wolfgang
A transferable polarizable electrostatic force field for molecular mechanics based on the chemical potential equalization principle 2002 Chelli, Riccardo; Procacci, Piero
About a world where second law of thermodynamics can be violated 2014 Chelli, Riccardo
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
Annealed importance sampling with constant cooling rate 2015 Giovannelli, Edoardo; Cardini, Gianni; Gellini, Cristina; Pietraperzia, Giangaetano; Chelli, Riccardo
Approximating nonequilibrium processes using a collection of surrogate diffusion models 2008 Calderon, P. Christopher; Chelli, Riccardo
Behavior of polarizable models in presence of strong electric fields. I. Origin of nonlinear effects in water point-charge systems 2005 Chelli, Riccardo; Barducci, Alessandro; Bellucci, Luca; Schettino, Vincenzo; Procacci, Piero
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Illustrative Calculations and Numerical Validation 2017 Giovannelli, Edoardo; Cioni, Matteo; Procacci, Piero; Cardini, Gianni; Pagliai, Marco; Volkov, Victor; Chelli, Riccardo
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Theoretical Framework 2017 Giovannelli, Edoardo; Procacci, Piero; Cardini, Gianni; Pagliai, Marco; Volkov, Victor; Chelli, Riccardo
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
Calculation of the elastic coherent neutron scattering spectra from molecular dynamics data: the NaCN plastic crystal 1997 Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore
Calculation of the potential of mean force from nonequilibrium measurements via maximum likelihood estimators 2008 Chelli, Riccardo; Marsili, Simone; Procacci, Piero
Combining path-breaking with bidirectional nonequilibrium simulations to improve efficiency in free energy calculations 2014 Giovannelli, Edoardo; Gellini, Cristina; Pietraperzia, Giangaetano; Cardini, Gianni; Chelli, Riccardo
Comment on "Classical polarizable force fields parametrized from ab initio calculations" [J. Chem. Phys. 117, 1416 (2002)] 2003 Chelli, Riccardo; Procacci, Piero
Comment on “From Subtle to Substantial: Role of Metal Ions on π−π Interactions” 2006 Chelli, Riccardo; Procacci, Piero
Comment to “Calculation of the Dipole Moment for Polypeptides Using the Generalized Born-Electronegativity Equalization Method: Results in Vacuum and Continuum-Dielectric Solvent” 2004 Chelli, Riccardo; Procacci, Piero