| Data pubblicazione | Titolo | Autore/i |
| 2010 | Compound I in Horseradish Peroxidase Enzyme | Zazza Costantino; Sanna, Nico ; Tatoli Simone; Aschi Massimiliano; Palma Amedeo |
| 2010 | Computational Study on Compound I Redox-Active Species in Horseradish Peroxydase Enzyme | Zazza Costantino; Palma Amedeo; Sanna, Nico ; Tatoli Simone; Aschi Massimiliano |
| 2011 | Conformational analysis and UV/Vis spectroscopic properties of a rotaxane-based molecular machine in acetonitrile dilute solution | Mancini Giordano; Zazza Costantino; Aschi Massimiliano; Sanna, Nico |
| 2011 | Dispersion energy effects on methane interaction within zeolite straight micropores | Zazza Costantino; Sanna, Nico ; Rutigliano Maria; Cacciatore Mario; Palma Amedeo |
| 2010 | A fast redox-induced switching mechanism in a conformationally controllable molecular thread in solution | Zazza Costantino; Mancini Giordano; Amadei Andrea; Sanna, Nico ; Aschi Massimiliano |
| 2009 | In Silico Characterization of a Fourfold Magnesium Organometallic Compound in PTCDA Thin Films | Zazza Costantino; Sanna, Nico ; Palma Amedeo |
| 2012 | Neutral molecular shuttle in acetonitrile dilute solution investigated by molecular dynamics and density functional theory | Zazza Costantino; Mancini Giordano; Brancato Giuseppe; Sanna, Nico ; Barone Vincenzo |
| 2010 | On the catalytic role of structural fluctuations in enzyme reactions | Zazza Costantino; Palma Amedeo; Amadei Andrea; Sanna, Nico ; Tatoli Simone; Aschi Massimiliano |
| 2012 | Oxygen Adsorption on beta-Quartz Model Surfaces: Some Insights from Density Functional Theory Calculations and Semiclassical Time-Dependent Dynamics | Zazza Costantino; Rutigliano Maria; Sanna, Nico ; Barone Vincenzo; Cacciatore Mario |
| 2010 | Photoabsorption spectra of a natural polyphenol compound for therapeutic applications | Zazza Costantino; Sanna, Nico |
| 2009 | The role of Arginine 38 in horseradish peroxidase enzyme revisited | Tatoli Simone; Zazza Costantino; Sanna, Nico ; Palma Amedeo; Aschi Massimiliano |
| 2010 | Solvent Effects on the Valence UV-Vis Absorption Spectra of Topotecan Anticancer Drug in Aqueous Solution at Room Temperature | Zazza Costantino; Coletta Andrea; Sanna, Nico ; Chillemi Giovanni; Mancini Giordano; Desideri Alessandro |
| 2008 | Theoretical modeling of enzyme reactions | Zazza Costantino; Amadei Andrea; Palma Amedeo; Sanna, Nico ; Tatoli Simone; Aschi Massimiliano |
| 2007 | Theoretical study of alpha-84 phycocyanobilin chromophore from the thermophilic cyanobacterium Synechococcus elongatus | Zazza Costantino; Sanna, Nico ; Aschi Massimiliano |
| 2009 | Thermodynamic features and environmental effects in a two-states molecular device under strict electrochemical control | Zazza Costantino; Mancini Giordano; Sanna, Nico ; Aschi Massimiliano |
| 2009 | UV-Vis Spectra of the Anticancer Campothecin Family Drugs in Aqueous Solution | Sanna, Nico ; Desideri Alessandro; Chillemi Giovanni; Gontrani Lorenzo; Grandi Andrea; Mancini Giordano; Castelli Silvia; Zagotto Giuseppe; Zazza Costantino; Barone Vincenzo |