CARDINI, GIANNI

CARDINI, GIANNI  

Chimica 'Ugo Schiff' - DICUS  

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Risultati 1 - 20 di 154 (tempo di esecuzione: 0.05 secondi).
Titolo Data di pubblicazione Autore(i) File
"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 CO<SUB>2</SUB> / 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