CARDINI, GIANNI
CARDINI, GIANNI
Chimica 'Ugo Schiff' - DICUS
"cyclopropylidene Effect" in the 1,3-Dipolar Cycloaddition of Nitrones to Alkylidene Cyclopropanes: A Computational Rationalization
2021 Briccolani-Bandini L.; Pagliai M.; Cordero F.M.; Brandi A.; Cardini G.
A combined Raman, DFT and MD study of the solvation dynamics and the adsorption process of pyridine in silver hydrosols
2006 M. PAGLIAI; LUCA BELLUCCI; M. MUNIZ-MIRANDA; G. CARDINI; V. SCHETTINO
A density functional study of the SERS spectra of pyridine adsorbed on silver clusters
2007 G. CARDINI; M. MUNIZ-MIRANDA; M. PAGLIAI; V. SCHETTINO
A molecular dynamica simulation of the vibrational properties of the Ar1-x (N2)x crystal
1998 S. RAUGEI; G. CARDINI; V. SCHETTINO; H.J. JODL
A molecular dynamics simulation of the plastic phase (I) of cyclopentane
1994 G. Cardini; M. Ricci; R. Righini; S. Califano
A molecular dynamics study of the CO2 / NaCl(001) system.
1997 A. VIGIANI; G. CARDINI; V. SCHETTINO
A molecular dynamics study of translational-rotation coupling in the NaCN plastic cystal
1997 Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore
A molecular-dynamics simulation of crystalline Sulfur-8.
1992 E. VENUTI; G. CARDINI; E. CASTELLUCCI
A molecular-dynamics study of the isotopic substitution effects on the lineshape of an internal mode in a molecular crystal
1992 G. CARDINI; V. SCHETTINO
A multi-technique approach to predicting the molecular structure of cuprizone in the gas phase and in the crystalline state
2008 M. Muniz-Miranda; M. Pagliai; G. Cardini; L. Messori; B. Bruni; A. Casini; M. Di Vaira; V. Schettino
A vibrational potential function for molecular dynamics simulation of buckminsterfullerene
1993 Procacci, P.; Cardini, G.; Salvi, P.R.
Ab initio molecular dynamics study of aqueous formaldehyde and methanediol
2007 M. MUGNAI; G. CARDINI; V. SCHETTINO; C. J. NIELSEN
Ab initio molecular dynamics study of Mg2+ and Ca2+ ions in liquid methanol
2008 C. FARALLI; M. PAGLIAI; G. CARDINI; V. SCHETTINO
Ab Initio Molecular Dynamics Study of the Hydrolysis Reaction of Diborane
2007 E. DI PIETRO; G. CARDINI; V. SCHETTINO
Ab-initio molecular dynamics study of the potential energy surface for the CH3Cl + F- reaction
2004 MARTINA MUGNAI; G. CARDINI; V. SCHETTINO
AB-INITIO MOLECULAR DYNAMICS STUDY OF THE SN2 REACTION Cl- + ClCH2CN
2001 M. PAGLIAI; S. RAUGEI; G. CARDINI; V. SCHETTINO
Absorption Spectra of Flexible Fluorescent Probes by a Combined Computational Approach: Molecular Dynamics Simulations and Time-Dependent Density Functional Theory
2022 Di Grande, Silvia; Ciofini, Ilaria; Adamo, Carlo; Pagliai, Marco; Cardini, Gianni
An ab-initio molecular dynamics study of the SN2 reaction Cl- + CH3Br -> CH3Cl + Br-
1999 Simone, Raugei; Gianni, Cardini; Vincenzo, Schettino
An ab-initio molecular dynamics study of the SN2 reaction F- + CH3Cl -> CH3F + Cl-
2003 MARTINA MUGNAI; G. CARDINI; V. SCHETTINO
An intramolecular potential for S8
1992 E.Venuti;P.Salvi;G.Cardini