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2012

Journal of Chemical Theory and Computation, 8-6:1952 – 1962, 2012 doi:10.1021/ct300171q

Molecular electrical properties from quantum Monte Carlo calculations: Application to ethyne

Coccia Emanuele, Chernomor Olga, Barborini Matteo, Sorella Sandro, Guidoni Leonardo
Journal of Chemical Theory and Computation, 8-4:1260 – 1269, 2012 doi:10.1021/ct200724q

Structural optimization by quantum Monte Carlo: Investigating the low-lying excited states of ethylene

Barborini Matteo, Sorella Sandro, Guidoni Leonardo
Journal of Physics Condensed Matter, 24-23, 2012 doi:10.1088/0953-8984/24/23/235502

Tracking the excitation dynamics in the Mn:Ge(111) metallic interface by resonant electron spectroscopy

Sangaletti L., Dash S., Verdini A., Floreano L., Goldoni A., Drera G., Pagliara S., Morgante A.
Journal of Physics Condensed Matter, 24-25, 2012 doi:10.1088/0953-8984/24/25/252203

Vibrational spectrum of solid picene (C 22H 14)

Joseph B., Boeri L., Malavasi L., Capitani F., Artioli G.A., Protti S., Fagnoni M., Albini A., Marini C., Baldassarre L., Perucchi A., Lupi S., Postorino P., Dore P.
Thin Solid Films, 520-14:4803 – 4807, 2012 doi:10.1016/j.tsf.2011.10.075

Oxidation of nanostructured Ti films produced by low energy cluster beam deposition: An X-ray Photoelectron Spectroscopy characterization

De Simone Monica, Snidero Elena, Coreno Marcello, Bongiorno Gero, Giorgetti Luca, Amati Matteo, Cepek Cinzia
Chemical Communications, 48-60:7483 – 7485, 2012 doi:10.1039/c2cc33292b

Top-down patterning of Zeolitic Imidazolate Framework composite thin films by deep X-ray lithography

Dimitrakakis Constantinos, Marmiroli Benedetta, Amenitsch Heinz, Malfatti Luca, Innocenzi Plinio, Grenci Gianluca, Vaccari Lisa, Hill Anita J., Ladewig Bradley P., Hill Matthew R., Falcaro Paolo
Journal of Physical Chemistry B, 116-12:3861 – 3865, 2012 doi:10.1021/jp211190q

Vibrational collective dynamics of dry proteins in the terahertz region

Paciaroni Alessandro, Orecchini Andrea, Haertlein Michael, Moulin Martine, Conti Nibali Valeria, De Francesco Alessio, Petrillo Caterina, Sacchetti Francesco
Journal of Chemical Physics, 136-18, 2012 doi:10.1063/1.4716178

Communication: Electronic band gaps of semiconducting zig-zag carbon nanotubes from many-body perturbation theory calculations

Umari P., Petrenko O., Taioli S., De Souza M.M.
Journal of the American Chemical Society, 134-16:7009 – 7014, 2012 doi:10.1021/ja211591n

Interaction of cisplatin with human superoxide dismutase

Banci Lucia, Bertini Ivano, Blaževitš Olga, Calderone Vito, Cantini Francesca, Mao Jiafei, Trapananti Angela, Vieru Miguela, Amori Ilaria, Cozzolino Mauro, Carrì Maria Teresa
Physical Review Letters, 108-17, 2012 doi:10.1103/PhysRevLett.108.175301

Excitation spectrum of a supersolid

Saccani S., Moroni S., Boninsegni M.
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