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| Data pubblicazione | Titolo | Autore/i |
| 2015 | Multiple approach to model unpaired spin density effects in H-ZSM5 zeolite with extra-framework O atom: H-abstraction reaction from methane | Rutigliano, M.; Sanna, Nico ; Palma, A. |
| 2018 | MXAN and molecular dynamics: A new way to look to the XANES (X-ray absorption near edge structure) energy region | Benfatto, M.; Pace, E.; Sanna, Nico ; Padrin, C.; Chillemi, G. |
| 2021 | MXAN: A new program for ab-initio structural quantitative analysis of XANES experiments | Benfatto, Maurizio; Della Longa, Stefano; Pace, Elisabetta; Chillemi, Giovanni ; Padrin, Cristiano; Natoli, Calogero R.; Sanna, Nico |
| 2006 | N atoms recombination on a silica surface | Rutigliano, M.; Pieretti, A.; Cacciatore, M.; Sanna, Nico ; Barone, V. |
| 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 |
| 2005 | New hints on the pH-driven tautomeric equilibria of the topotecan anticancer drug in aqueous solutions from an integrated spectroscopic and quantum-mechanical approach | Sanna, Nico ; Chillemi, G.; Grandi, A.; Castelli, S.; Desideri, A.; Barone, V. |
| 2024 | Noble gas hydrides: theoretical prediction of the first group of anionic species | Borocci, Stefano ; Cecchi, Patrizio ; Grandinetti, Felice ; Sanna, Nico ; Zazza, Costantino |
| 2022 | Noble-gas compounds: A general procedure of bonding analysis | Borocci, Stefano ; Grandinetti, Felice ; Sanna, Nico |
| 2019 | Noncovalent Complexes of the Noble-Gas Atoms: Analyzing the Transition from Physical to Chemical Interactions | Borocci, Stefano ; Grandinetti, F.; Sanna, Nico ; Antoniotti, P.; Nuzi, F.; Nunzi, F. |
| 2019 | Noncovalent Complexes of the Noble-Gas Atoms: Analyzing the Transition from Physical to Chemical Interactions | Borocci, Stefano ; Grandinetti, Felice ; Sanna, Nico ; Antoniotti, Paola; Nunzi, Francesca |
| 2010 | On the catalytic role of structural fluctuations in enzyme reactions | Zazza Costantino; Palma Amedeo; Amadei Andrea; Sanna, Nico ; Tatoli Simone; Aschi Massimiliano |
| 2000 | On the hydrogen bonding in uracil | Bencivenni, L.; Ramondo, F.; Pieretti, A.; Sanna, Nico |
| 2021 | On the proton-bound noble gas dimers (Ng-H-Ng)+ and (Ng-H-Ng')+ (Ng, Ng'= He-Xe): relationships between structure, stability, and bonding character | Borocci, Stefano ; Grandinetti, Felice ; Sanna, Nico |
| 1995 | ON THE SCATTERING OF LOW-ENERGY ELECTRONS BY SULFUR-HEXAFLUORIDE | Gianturco Fa; Lucchese Rr; Sanna, Nico |
| 2009 | Oxygen Adsorption on beta-Cristobalite Polymorph | Rutigliano, M.; Zazza, C.; Sanna, Nico ; Pieretti, A.; Mancini, G.; Barone, V.; Cacciatore, M. |
| 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 |
| 1998 | Photolysis at 266 nm of nitrosylchloride-water complex. Identification of the HONO...HCl complex. Matrix isolation infrared spectroscopic and ab initio studies | Pieretti, A.; Sanna, Nico ; Hallou, A.; Schriver-mazzuoli, L.; Schriver, A. |
| 1993 | QUANTUM AND CLASSICAL CALCULATIONS OF TRANSPORT AND RELAXATION CROSS-SECTIONS IN HE-CO MIXTURES | Gianturco Fa; Sanna, Nico ; Serna, S. |
| 1995 | THE RAMSAUER MINIMUM OF METHANE | Gianturco Fa; Rodriguesruiz Ja; Sanna, Nico |