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2012

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
Journal of Physics Condensed Matter, 24-6, 2012 doi:10.1088/0953-8984/24/6/064102

Water dynamics in a lithium chloride aqueous solution probed by Brillouin neutron and x-ray scattering

Mamontov E., De Francesco A., Formisano F., Laloni A., Sani L., Leu B.M., Said A.H., Kolesnikov A.I.
Journal of Physical Chemistry C, 116-7:4780 – 4785, 2012 doi:10.1021/jp211749g

Supramolecular environment-dependent electronic properties of metal-Organic interfaces

El-Sayed Afaf, Mowbray Duncan J., García-Lastra Juan M., Rogero Celia, Goiri Elizabeth, Borghetti Patrizia, Turak Ayse, Doyle Bryan P., Dell'Angela Martina, Floreano Luca, Wakayama Yutaka, Rubio Angel, Ortega J. Enrique, De Oteyza Dimas G.
Chemical Physics Letters, 527:57 – 62, 2012 doi:10.1016/j.cplett.2012.01.012

Self assembling monolayers of dialkynyl bridged Pd(II) thiols obtained by thermally induced multilayer desorption: Thermal and chemical stability investigated by SR-XPS

Battocchio C., Fratoddi I., Bondino F., Malvestuto M., Russo M.V., Polzonetti G.
Applied Physics Letters, 100-1, 2012 doi:10.1063/1.3675445

Photoemission microscopy study of the two metal-insulator transitions in Cr-doped V 2O 3

Mansart B., Barinov A., Dudin P., Baldassarre L., Perucchi A., Papalazarou E., Metcalf P., Lupi S., Marsi M.
Journal of Physics Condensed Matter, 24-4, 2012 doi:10.1088/0953-8984/24/4/045601

Pressure induced magnetic phase separation in La 0.75Ca 0.25MnO 3 manganite

Baldini M., Capogna L., Capone M., Arcangeletti E., Petrillo C., Goncharenko I., Postorino P.
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