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2010

Journal of Chemical Physics, 132-15, 2010 doi:10.1063/1.3380831

Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited

Casula Michele, Moroni Saverio, Sorella Sandro, Filippi Claudia
Physical Review B - Condensed Matter and Materials Physics, 81-16, 2010 doi:10.1103/PhysRevB.81.165207

Electronic structure of In2 O3 and Sn-doped In 2 O3 by hard x-ray photoemission spectroscopy

Körber C., Krishnakumar V., Klein A., Panaccione G., Torelli P., Walsh A., Da Silva J.L.F., Wei S.-H., Egdell R.G., Payne D.J.
Journal of the American Chemical Society, 132-13:4790 – 4795, 2010 doi:10.1021/ja909823n

Hydroxyl-rich β-sheet adhesion to the gold surface in water by first-principle simulations

Calzolari Arrigo, Cicero Giancarlo, Cavazzoni Carlo, Di Felice Rosa, Catellani Alessandra, Corni Stefano
Microelectronic Engineering, 87-5-8:1143 – 1146, 2010 doi:10.1016/j.mee.2009.10.045

Microlens arrays on large area UV transparent hybrid sol-gel materials for optical tools

Dal Zilio Simone, Della Giustina Gioia, Brusatin Giovanna, Tormen Massimo
Journal of Physical Chemistry Letters, 1-10:1660 – 1665, 2010 doi:10.1021/jz100511s

Probing transformations of relevance in catalysis on a single oxide layer: Fe on TiOx/Pt(111)

Artiglia Luca, Cavaliere Emanuele, Rizzi Gian Andrea, Gavioli Luca, Granozzi Gaetano
Physical Review B - Condensed Matter and Materials Physics, 81-23, 2010 doi:10.1103/PhysRevB.81.233201

Detailed structure of the H-N-H center in GaAsy N1-y revealed by vibrational spectroscopy under uniaxial stress

Wen L., Bekisli F., Stavola M., Fowler W.B., Trotta R., Polimeni A., Capizzi M., Rubini S., Martelli F.
Physics and Chemistry of Minerals, 37-8:561 – 569, 2010 doi:10.1007/s00269-010-0357-4

Crystal chemistry surface morphology and X-ray photoelectron spectroscopy of Fe-rich osumilite from Mt. Arci Sardinia (Italy)

Elmi Chiara, Brigatti Maria Franca, Pasquali Luca, Montecchi Monica, Laurora Angela, Malferrari Daniele, Nannarone Stefano
Journal of the American Chemical Society, 132-4:1371 – 1376, 2010 doi:10.1021/ja908611p

Direct evidence of the amino acid side chain and backbone contributions to protein anharmonicity

Schiró Giorgio, Caronna Chiara, Natali Francesca, Cupane Antonio
Journal of Chemical Physics, 132-21, 2010 doi:10.1063/1.3430555

Rotational dynamics of trehalose in aqueous solutions studied by depolarized light scattering

Gallina M.E., Comez L., Morresi A., Paolantoni M., Perticaroli S., Sassi P., Fioretto D.
Physical Review B - Condensed Matter and Materials Physics, 81-7, 2010 doi:10.1103/PhysRevB.81.075109

Computation of correlation-induced atomic displacements and structural transformations in paramagnetic KCuF3 and LaMnO3

Leonov I., Korotin Dm., Binggeli N., Anisimov V.I., Vollhardt D.
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