Showing results 30 to 49 of 156
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| Issue Date | Title | Author(s) |
| 2024 | Complexes of the noble-gas atoms with borazine: Theoretical insights into structure, stability, and bonding character | Borocci, Stefano ; Camerlingo, Armando; Grandinetti, Felice ; Rutigliano, Maria; Sanna, Nico |
| 2020 | Complexes of the noble-gas atoms with unsaturated ions: A theoretical investigation on the exemplary (H<inf>2</inf>C = NH<inf>2</inf><sup>+</sup>)Ar | Borocci, Stefano ; Grandinetti, Felice ; Sanna, Nico |
| 2010 | Compound I in Horseradish Peroxidase Enzyme | Zazza Costantino; Sanna, Nico ; Tatoli Simone; Aschi Massimiliano; Palma Amedeo |
| 2005 | Computational evidence for a variable first shell coordination of the cadmium(II) ion in aqueous solution | Chillemi, G.; Barone, V.; Dangelo, P.; Mancini, G.; Persson, I.; Sanna, Nico |
| 2022 | Computational Exploration of the Synergistic Anticancer Effect of a Multi-Action Ru(II)-Pt(IV) Conjugate | Scoditti, Stefano; Mazzone, Gloria; Sanna, Nico ; Sicilia, Emilia |
| 2010 | Computational Study on Compound I Redox-Active Species in Horseradish Peroxydase Enzyme | Zazza Costantino; Palma Amedeo; Sanna, Nico ; Tatoli Simone; Aschi Massimiliano |
| 1999 | Computed elastic cross sections and angular distributions of low-energy electron scattering from gas phase C-60 fullerene | Gianturco Fa; Lucchese Rr; Sanna, Nico |
| 2021 | Concerning the role of σ-Hole in non-covalent interactions: insights from the study of the complexes of ArBeO with simple ligands | Borocci, Stefano ; Grandinetti, Felice ; Sanna, Nico |
| 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 |
| 2002 | Development and validation of an integrated computational approach for the study of ionic species in solution by means of effective two-body potentials. The case of Zn2+, Ni2+, and Co2+ in aqueous solutions | Chillemi, G.; Dangelo, P.; Pavel Nv; Sanna, Nico ; Barone, V. |
| 1998 | Development of a parallel molecular dynamics code on SIMD computers | Roccatano, D.; Bizzarri, R.; Chillemi, G.; Sanna, Nico ; Di Nola, A. |
| 1998 | Differential cross sections for electron/positron scattering from polyatomic molecules | Sanna, Nico ; Gianturco Fa |
| 2011 | Dispersion energy effects on methane interaction within zeolite straight micropores | Zazza Costantino; Sanna, Nico ; Rutigliano Maria; Cacciatore Mario; Palma Amedeo |
| 2021 | Dispersion energy effects on oxygen interaction with cesiated molybdenum surfaces | Sanna, Nico ; Rutigliano, Maria; Palma, Amedeo |
| 1993 | Dynamic Decoupling In the Calculations of Transport-coefficients .2. Quantum and Classical Results For Ne-N2 and Ar-N2 Mixtures | Gianturco Fa; Sanna, Nico ; Serna, S. |
| 1991 | Dynamic Decoupling In the Quantum Calculations of Transport-coefficients .1. Coupled-state Results For He-n2 Gaseous-mixtures | Gianturco Fa; Serna, S.; Sanna, Nico |
| 2018 | Dynamic multiple-scattering treatment of X-ray absorption | Chillemi, Giovanni ; Anselmi, M.; Sanna, Nico ; Padrin, C.; Balducci, L.; Cammarata, M.; Pace, E.; Chergui; M.; Benfatto, M.; Massimiliano Anselmi; Nico Sanna; Cristiano Padrin; Lodovico Balducci; Marco Cammarata; Elisabetta Pace; Majed Chergui; Maurizio Benfatto |
| 1995 | ELASTIC-SCATTERING OF ELECTRONS BY METHANE MOLECULES | Gianturco Fa; Rodriguezruiz Ja; Sanna, Nico |
| 2000 | Electron and positron scattering from halogenated methanes | Curik, R.; Gianturco Fa; Sanna, Nico |
| 1997 | Electron scattering from SO2 molecules | Gianturco Fa; Paioletti, P.; Sanna, Nico |