SCALMANI, GIOVANNI
SCALMANI, GIOVANNI
DIPARTIMENTO DI CHIMICA (attivo dal 02/01/1993 al 31/12/2012)
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Risultati 1 - 5 di 5 (tempo di esecuzione: 0.011 secondi).
Achieving linear-scaling computational cost for the polarizable continuum model of solvation
2004 Scalmani, Giovanni; Barone, Vincenzo; K. N., Kudin; C. S., Pomelli; G. E., Scuseria; M. J., Frisch
Accurate Computation of Fluorescence Spectra in Solution: a TD-DFT Study on the Excited States of Some Uracil Derivates
2005 R., Improta; Scalmani, Giovanni; M. J., Frisch; Barone, Vincenzo
QUANTUM MECHANICAL STUDY OF THE CONFORMATIONAL BEHAVIOR OF PROLINE AND 4R-HYDROXYPROLINE DIPEPTIDE ANALOGUES IN VACUUM AND IN AQUEOUS SOLUTION,
2002 Barone, Vincenzo; Scalmani, Giovanni; Benzi, C; Improta, R.
ABSOLUTE PKA DETERMINATION FOR CARBOXYLIC ACIDS USING DENSITY FUNCTIONAL THEORY AND POLARIZABLE CONTINUUM MODEL
2003 Barone, Vincenzo; Scalmani, Giovanni; G. A. A., Saracino; R., Improta
Computation of the acetone ultraviolet spectrum in gas phase and in aqueous solution by a mixed discrete/continuum model
2003 F., Aquilante; Cossi, Maurizio; Crescenzi, Orlando; Scalmani, Giovanni; Barone, Vincenzo
| Titolo | Tipologia | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|---|
| Achieving linear-scaling computational cost for the polarizable continuum model of solvation | 1.1 Articolo in rivista | 2004 | Scalmani, Giovanni; Barone, Vincenzo; K. N., Kudin; C. S., Pomelli; G. E., Scuseria; M. J., Frisch | |
| Accurate Computation of Fluorescence Spectra in Solution: a TD-DFT Study on the Excited States of Some Uracil Derivates | 4.1 Articoli in Atti di convegno | 2005 | R., Improta; Scalmani, Giovanni; M. J., Frisch; Barone, Vincenzo | |
| QUANTUM MECHANICAL STUDY OF THE CONFORMATIONAL BEHAVIOR OF PROLINE AND 4R-HYDROXYPROLINE DIPEPTIDE ANALOGUES IN VACUUM AND IN AQUEOUS SOLUTION, | 1.1 Articolo in rivista | 2002 | Barone, Vincenzo; Scalmani, Giovanni; Benzi, C; Improta, R. | |
| ABSOLUTE PKA DETERMINATION FOR CARBOXYLIC ACIDS USING DENSITY FUNCTIONAL THEORY AND POLARIZABLE CONTINUUM MODEL | 1.1 Articolo in rivista | 2003 | Barone, Vincenzo; Scalmani, Giovanni; G. A. A., Saracino; R., Improta | |
| Computation of the acetone ultraviolet spectrum in gas phase and in aqueous solution by a mixed discrete/continuum model | 1.1 Articolo in rivista | 2003 | F., Aquilante; Cossi, Maurizio; Crescenzi, Orlando; Scalmani, Giovanni; Barone, Vincenzo |