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2008

Journal of Chemical Physics, 128-11, 2008 doi:10.1063/1.2844808

Core localization and σ* delocalization in the O 1s core-excited sulfur dioxide molecule

Lindgren Andreas, Kosugi Nobuhiro, Gisselbrecht Mathieu, Kivimäki Antti, Burmeister Florian, Naves De Brito Arnaldo, Sorensen Stacey L.
Computational and Mathematical Methods in Medicine, 9-3-4:231 – 243, 2008 doi:10.1080/17486700802167918

HIV-1 integrase-DNA interactions investigated by molecular modelling

Fenollar-Ferrer C., Carnevale V., Raugei S., Carloni P.
100 (2008) doi:10.1088/1742-6596/100/5/052069

Photoemission study of ferrocenes: Insights into the electronic structure of Si-based hybrid materials

Boccia A., Marrani A.G., Stranges S., Zanoni R., Alagia M., Iozzi M.F., Cossi M.
Proteins: Structure Function and Genetics, 70-3:707 – 717, 2008 doi:10.1002/prot.21523

Second step of hydrolytic dehalogenation in haloalkane dehalogenase investigated by QM/MM methods

Otyepka Michal, Banáš Pavel, Magistrato Alessandra, Carloni Paolo, Damborský Jiří
Journal of Physical Chemistry C, 112-6:2016 – 2025, 2008 doi:10.1021/jp076299q

Evidence of charge transfer at the Cu-phthalocyanine/Al(100) interface

Ruocco A., Evangelista F., Gotter R., Attili A., Stefani G.
Journal of Magnetism and Magnetic Materials, 320-3-4:100 – 106, 2008 doi:10.1016/j.jmmm.2007.05.011

Phase stability of Fe and Mn within density-functional theory plus on-site Coulomb interaction approaches

Stojić N.L, Binggeli N.L
Journal of Physical Chemistry C, 112-13:5123 – 5128, 2008 doi:10.1021/jp711641e

Linearly polarized X-ray absorption investigation of ultrathin NiO x/Pd(100) films

Agnoli S., Sedona F., Finetti P., Rizzi G.A., Granozzi G., Bondino F., Zacchigna M., Parmigiani F.
Physica B: Condensed Matter, 403-5-9:1293 – 1294, 2008 doi:10.1016/j.physb.2007.10.192

Variational approach for the superfluid-insulator transition in the bosonic Hubbard model

Becca Federico, Capello Manuela
Chemical Physics, 345-2-3:305 – 314, 2008 doi:10.1016/j.chemphys.2007.09.012

A benchmark for protein dynamics: Ribonuclease A measured by neutron scattering in a large wavevector-energy transfer range

Wood Kathleen, Caronna Chiara, Fouquet Peter, Haussler Wolfgang, Natali Francesca, Ollivier Jacques, Orecchini Andrea, Plazanet Marie, Zaccai Giuseppe
Chemical Physics, 345-2-3:250 – 258, 2008 doi:10.1016/j.chemphys.2007.07.004

Neutron scattering studies on dUTPase complex in the presence of bioprotectant systems

Varga B., Migliardo F., Takacs E., Vertessy B., Magazù S., Mondelli C.
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