Showing results 25 to 44 of 156
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| Issue Date | Title | Author(s) |
| 2020 | Classifying the chemical bonds involving the noble-gas atoms | Borocci, Stefano ; Grandinetti, Felice ; Nunzi, Francesca; Sanna, Nico |
| 2001 | The close-coupling-single center-expansion (CC-SCE) model for electron scattering from polyatomic targets | Curik, R.; Gianturco Fa; Sanna, Nico |
| 2020 | Complexes of helium with neutral molecules: Progress toward a quantitative scale of bonding character | Borocci, S.; Grandinetti, F.; Sanna, Nico ; Antoniotti, P.; Nunzi, F. |
| 2020 | Complexes of helium with neutral molecules: Progress toward a quantitative scale of bonding character | Borocci, Stefano ; Grandinetti, Felice ; Sanna, Nico ; Antoniotti, Paola; Nunzi, Francesca |
| 2023 | Complexes of NgHNg+ (Ng = He, Ne, Ar) with He: Theoretical insights into structure, stability, and bonding character | Borocci, Stefano ; Grandinetti, Felice ; Sanna, Nico |
| 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. |