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2012

Journal of Materials Chemistry, 22-2:440 – 446, 2012 doi:10.1039/c1jm13605d

A hybrid zinc phthalocyanine/zinc oxide system for photovoltaic devices: A DFT and TDDFPT theoretical investigation

Mattioli Giuseppe, Filippone Francesco, Alippi Paola, Giannozzi Paolo, Bonapasta Aldo Amore
Physica E: Low-Dimensional Systems and Nanostructures, 44-6:1040 – 1044, 2012 doi:10.1016/j.physe.2011.05.005

Kondo effect of magnetic impurities on nanotubes

Baruselli P.P., Smogunov A., Fabrizio M., Tosatti E.
340 (2012) doi:10.1088/1742-6596/340/1/012074

Phonon density of states and the search for a resonance mode in LaFeAsO0.85F0.15 (Tc=26 K)

Yamani Z., Ryan D.H., Cadogan J.M., Canepa F., Palenzona A., Orecchini Andrea
Nature Chemistry, 4-3:215 – 220, 2012 doi:10.1038/nchem.1242

Controlling on-surface polymerization by hierarchical and substrate-directed growth

Lafferentz L., Eberhardt V., Dri C., Africh C., Comelli G., Esch F., Hecht S., Grill L.
Journal of Raman Spectroscopy, 43-9:1260 – 1264, 2012 doi:10.1002/jrs.4035

Evolution of past enamel technology and metal conservation issues: The case of two Byzantine style bindings

Sodo A., Ricci M.A., Mangialardo S., Postorino P., Micheli M., Crisostomi P.
Journal of Computer-Aided Molecular Design, 26-4:425 – 435, 2012 doi:10.1007/s10822-012-9571-0

On the active site of mononuclear B1 metallo β-lactamases: A computational study

Sgrignani Jacopo, Magistrato Alessandra, Peraro Matteo Dal, Vila Alejandro J., Carloni Paolo, Pierattelli Roberta
Journal of Physical Chemistry C, 116-3:2382 – 2389, 2012 doi:10.1021/jp203572z

Electronic band and orbital properties of Cs-doped pentacene thin films

Annese E., Fujii J., Vobornik I., Rossi G.
Computational and Theoretical Chemistry, 982:58 – 65, 2012 doi:10.1016/j.comptc.2011.12.011

Aqueous halide potentials from force matching of Car-Parrinello data

Spångberg Daniel, Guàrdia Elvira, Masia Marco
2012-March (2012) doi:10.22323/1.162.0044

Milu the three middleware user interface

Aleksiev Tyanko, Cozzini Stefano, Murri Riccardo
Macromolecules, 45-4:2113 – 2121, 2012 doi:10.1021/ma202503k

Numerical study of linear and circular model dna chains confined in a slit: Metric and topological properties

Micheletti Cristian, Orlandini Enzo
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