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2014
S. Laureti, Brombacher, C., Makarov, D., Albrecht, M., Peddis, D., Varvaro, G., and D'Acapito, F., “EXAFS investigation of the role of Cu on the chemical order and lattice distortion in L10Fe-Pt-Cu thin films”, Journal of applied crystallography (Online), vol. 47, pp. 1722–1728, 2014.
L. M. Fortes, Goncalves, M. C., Pereira, J. C., and D'Acapito, F., “EXAFS study of Er,Yb doped hollow and dense SiO2microspheres”, Journal of non-crystalline solids, vol. 402, pp. 244–251, 2014.
S. Kr Bhattacharya, Inam, F., and Scandolo, S., “Excess electrons in ice: a density functional theory study”, Physical Chemistry Chemical Physics, vol. 16, pp. 3103–3107, 2014.
G. Carlotti, Gubbiotti, G., Madami, M., Tacchi, S., and Stamps, R. L., “Exchange-dominated eigenmodes in sub-100 nm permalloy dots: A micromagnetic study at finite temperature”, Journal of Applied Physics, vol. 115, p. 17D119, 2014.
M. Zangrando, Fava, C., Gerusina, S., Gobessi, R., Mahne, N., Mazzucco, E., Raimondi, L., Rumiz, L., and Svetina, C., “The experience of the FERMI@Elettra photon beam transport and diagnostics system (PADReS) during three years of continuous support of machine and user experiments: achievements, lessons learned, and future upgrades”, Proceedings of SPIE, the International Society for Optical Engineering, vol. 9210, 2014.
R. Flammini, Satta, M., O'Keeffe, P., Coreno, M., Kivimaeki, A., de Simone, M., Carbone, M., Feyer, V., Prince, K. C., and Avaldi, L., “An experimental and theoretical study of the resonant Auger spectrum of the ethene molecule”, New Journal of Physics, vol. 16, p. 073022, 2014.
P. O'Keeffe, Ciavardini, A., Ripani, E., Bolognesi, P., Coreno, M., Avaldi, L., Devetta, M., Di Fraia, M., Callegari, C., Prince, K. C., and Richter, R., “Experimental investigation of the interatomic Coulombic decay in NeAr dimers”, Physical review. A, vol. 90, p. 042508, 2014.
D. H. Douma, Ciprian, R., Lamperti, A., Lupo, P., Cianci, E., Sangalli, D., Casoli, F., Nasi, L., Albertini, F., Torelli, P., and Debernardi, A., “Experimental versus ab initio x-ray absorption of iron-doped zirconia: Trends in O K-edge spectra as a function of iron doping”, Physical review. B, Condensed matter and materials physics, vol. 90, pp. 205201-1–205201-7, 2014.
A. Politano, Caputo, M., Nappini, S., Bondino, F., Magnano, E., Aliev, Z. S., Babanly, M. B., Goldoni, A., Chiarello, G., and Chulkov, E. V., “Exploring the Surface Chemical Reactivity of Single Crystals of Binary and Ternary Bismuth Chalcogenides”, Journal of physical chemistry. C, vol. 118, pp. 21517–21522, 2014.
2013
V. Capogrosso, Malvestuto, M., Handayani, I. P., van Loosdrecht, P. H. M., Nugroho, A. A., Magnano, E., and Parmigiani, F., “Effects of charge-orbital order-disorder phenomena on the unoccupied electronic states in the single-layered half-doped Pr0.5Ca1.5MnO4”, Physical Review B, vol. 87, p. 155118, 2013.
E. Kukk, Ayuso, D., Thomas, T. D., Decleva, P., Patanen, M., Argenti, L., Plesiat, E., Palacios, A., Kooser, K., Travnikova, O., Mondal, S., Kimura, M., Sakai, K., Miron, C., Martin, F., and Ueda, K., “Effects of molecular potential and geometry on atomic core-level photoemission over an extended energy range: The case study of the CO molecule”, Physical Review A, vol. 88, p. 033412, 2013.
G. Sclauzero and Dal Corso, A., “Efficient DFT+U calculations of ballistic electron transport: Application to Au monatomic chains with a CO impurity”, Physical Review B, vol. 87, p. 085108, 2013.
S. Esconjauregui, Xie, R. S., Guo, Y. Z., Pfaendler, S. M. L., Fouquet, M., Gillen, R., Cepek, C., Castellarin-Cudia, C., Eslava, S., and Robertson, J., “Electrical conduction of carbon nanotube forests through sub-nanometric films of alumina”, Applied Physics Letters, vol. 102, p. 113109, 2013.
S. S. Naghavi, Fabrizio, M., Qin, T., and Tosatti, E., “Electron-doped organics: Charge-disproportionate insulators and Hubbard-Frohlich metals”, Physical Review B, vol. 88, p. 115106, 2013.
G. Cappellini, Furthmueller, J., Cadelano, E., and Bechstedt, F., “Electronic and optical properties of cadmium fluoride: The role of many-body effects”, Physical Review B, vol. 87, p. 075203, 2013.
V. Calzia, Malloci, G., Bongiovanni, G., and Mattoni, A., “Electronic Properties and Quantum Confinement in Bi2S3 Ribbon-Like Nanostructures”, Journal of Physical Chemistry C, vol. 117, pp. 21923–21929, 2013.
M. Nardi, Verucchi, R., Aversa, L., Casarin, M., Vittadini, A., Mahne, N., Giglia, A., Nannarone, S., and Iannotta, S., “Electronic properties of tetrakis(pentafluorophenyl)porphyrin”, New Journal of Chemistry, vol. 37, pp. 1036–1045, 2013.
F. Bisti, Stroppa, A., Perrozzi, F., Donarelli, M., Picozzi, S., Coreno, M., de Simone, M., Prince, K. C., and Ottaviano, L., “The electronic structure of gas phase croconic acid compared to the condensed phase: More insight into the hydrogen bond interaction”, Journal of Chemical Physics, vol. 138, p. 014308, 2013.
P. Vilmercati, Martin, E., C. Cheney, P., Bondino, F., Magnano, E., Parmigiani, F., Sasagawa, T., and Mannella, N., “Electronic structure of Rh-based CuRh0.9Mg0.1O2 oxide thermoelectrics”, Physical Review B, vol. 87, p. 125103, 2013.
M. Amado, Fornieri, A., Carillo, F., Biasiol, G., Sorba, L., Pellegrini, V., and Giazotto, F., “Electrostatic tailoring of magnetic interference in quantum point contact ballistic Josephson junctions”, Physical Review B, vol. 87, p. 134506, 2013.
M. Scardamaglia, Struzzi, C., Lizzit, S., Dalmiglio, M., Lacovig, P., Baraldi, A., Mariani, C., and Betti, M. Grazia, “Energetics and Hierarchical Interactions of Metal Phthalocyanines Adsorbed on Graphene/Ir(111)”, Langmuir, vol. 29, pp. 10440–10447, 2013.
K. Kwapien, Piccinin, S., and Fabris, S., “Energetics of Water Oxidation Catalyzed by Cobalt Oxide Nanoparticles: Assessing the Accuracy of DFT and DFT plus U Approaches against Coupled Cluster Methods”, Journal of Physical Chemistry Letters, vol. 4, pp. 4223–4230, 2013.
P. Umari, Giacomazzi, L., De Angelis, F., Pastore, M., and Baroni, S., “Energy-level alignment in organic dye-sensitized TiO2 from GW calculations”, Journal of Chemical Physics, vol. 139, p. 014709, 2013.
A. Sonato, Ruffato, G., Zacco, G., Silvestri, D., Natali, M., Carli, M., Giallongo, G., Granozzi, G., Morpurgo, M., and Romanato, F., “Enhanced sensitivity azimuthally controlled grating-coupled surface plasmon resonance applied to the calibration of thiol-poly(ethylene oxide) grafting”, Sensors and Actuators B-chemical, vol. 181, pp. 559–566, 2013.
N. Varini, Ceresoli, D., Martin-Samos, L., Girotto, I., and Cavazzoni, C., “Enhancement of DFT-calculations at petascale: Nuclear Magnetic Resonance, Hybrid Density Functional Theory and Car-Parrinello calculations”, Computer Physics Communications, vol. 184, pp. 1827–1833, 2013.

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