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2010

Journal of Physical Chemistry B, 114-9:3259 – 3265, 2010 doi:10.1021/jp907464b

Optimizing the performance of bias-exchange metadynamics: Folding a 48-residue LysM domain using a coarse-grained model

Cossio Pilar, Marinelli Fabrizio, Laio Alessandro, Pietrucci Fabio
Physical Review B - Condensed Matter and Materials Physics, 81-8, 2010 doi:10.1103/PhysRevB.81.085121

Resonant photoelectron and photoelectron diffraction across the Fe L3 edge of Fe3 O4

Magnan H., Le Fèvre P., Chandesris D., Krüger P., Bourgeois S., Domenichini B., Verdini A., Floreano L., Morgante A.
Chemistry of Materials, 22-5:1933 – 1942, 2010 doi:10.1021/cm9018106

XAS and GIXRD study of Co sites in CoAl2O4 layers grown by MOCVD

Maurizio Chiara, Habra Naida El, Rossetto Gilberto, Merlini Marco, Cattaruzza Elti, Pandolfo Luciano, Casarin Maurizio
Current Opinion in Structural Biology, 20-2:148 – 154, 2010 doi:10.1016/j.sbi.2010.01.011

Targeting biomolecular flexibility with metadynamics

Leone Vanessa, Marinelli Fabrizio, Carloni Paolo, Parrinello Michele
Journal of Chemical Physics, 132-10, 2010 doi:10.1063/1.3326226

Computational approaches to charge transfer excitations in a zinc tetraphenylporphyrin and C70 complex

Ghosh Prasenjit, Gebauer Ralph
Physical Review B - Condensed Matter and Materials Physics, 81-11, 2010 doi:10.1103/PhysRevB.81.115104

GW quasiparticle spectra from occupied states only

Umari P., Stenuit Geoffrey, Baroni Stefano
Carbon, 48-5:1619 – 1625, 2010 doi:10.1016/j.carbon.2009.12.064

Catalytic chemical vapor deposition of methane on graphite to produce graphene structures

Kholmanov I.N., Cavaliere E., Cepek C., Gavioli L.
Journal of Chemical Physics, 132-17, 2010 doi:10.1063/1.3415490

Effects of patch size and number within a simple model of patchy colloids

Giacometti Achille, Lado Fred, Largo Julio, Pastore Giorgio, Sciortino Francesco
Journal of Hazardous Materials, 177-1-3:1138 – 1144, 2010 doi:10.1016/j.jhazmat.2009.12.026

Uptake of Pb by hydrozincite Zn5(CO3)2(OH)6-Implications for remediation

Lattanzi Pierfranco, Meneghini Carlo, De Giudici Giovanni, Podda Francesca
Journal of Magnetism and Magnetic Materials, 322-9-12:1212 – 1216, 2010 doi:10.1016/j.jmmm.2009.05.022

Measuring magnetic profiles at manganite surfaces with monolayer resolution

Verna A., Davidson Bruce A., Szeto Y., Petrov A.Yu., Mirone A., Giglia A., Mahne N., Nannarone S.
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