MORELLI, GIOVANNI
MORELLI, GIOVANNI
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Gaussian grid: a computational chemistry experiment over a web service-oriented grid
2007 N., Sanna; T., Castrignano; P., D'ONORIO DE MEO; D., Carrabino; A., Grandi; Morelli, Giovanni; Caruso, Pasquale; Barone, Vincenzo
UV-vis spectra of p-benzoquinone anion radical in solution by a TD-DFT/PCM approach
2007 Barone, Vincenzo; R., Improta; Morelli, Giovanni; F., Santoro
Spectroscopic properties in liquid phase: combining high-level ab initio calculations and classical molecular dynamics
2006 Pavone, Michele; Brancato, Giuseppe; Morelli, Giovanni; Barone, Vincenzo
Solvent Effects on the UV (n → pi*) and NMR (17O) Spectra of Acetone in Aqueous Solution: Development and Validation of a Modified AMBER Force Field for an Integrated MD/DFT/PCM Approach
2006 Pavone, Michele; Crescenzi, Orlando; Morelli, Giovanni; Rega, Nadia; Barone, V.
| Titolo | Tipologia | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|---|
| Gaussian grid: a computational chemistry experiment over a web service-oriented grid | 1.1 Articolo in rivista | 2007 | N., Sanna; T., Castrignano; P., D'ONORIO DE MEO; D., Carrabino; A., Grandi; Morelli, Giovanni; Caruso, Pasquale; Barone, Vincenzo | |
| UV-vis spectra of p-benzoquinone anion radical in solution by a TD-DFT/PCM approach | 1.1 Articolo in rivista | 2007 | Barone, Vincenzo; R., Improta; Morelli, Giovanni; F., Santoro | |
| Spectroscopic properties in liquid phase: combining high-level ab initio calculations and classical molecular dynamics | 1.1 Articolo in rivista | 2006 | Pavone, Michele; Brancato, Giuseppe; Morelli, Giovanni; Barone, Vincenzo | |
| Solvent Effects on the UV (n → pi*) and NMR (17O) Spectra of Acetone in Aqueous Solution: Development and Validation of a Modified AMBER Force Field for an Integrated MD/DFT/PCM Approach | 1.1 Articolo in rivista | 2006 | Pavone, Michele; Crescenzi, Orlando; Morelli, Giovanni; Rega, Nadia; Barone, V. |