Publications

Export 1841 results:
2013
D. Hasa, Perissutti, B., Cepek, C., Bhardwaj, S., Carlino, E., Grassi, M., Invernizzi, S., and Voinovich, D., “Drug Salt Formation via Mechanochemistry: The Case Study of Vincamine”, Molecular Pharmaceutics, vol. 10, pp. 211–224, 2013.
M. Nava, Galli, D. E., Moroni, S., and Vitali, E., “Dynamic structure factor for He-3 in two dimensions”, Physical Review B, vol. 87, p. 144506, 2013.
X. H. Zhang, Santoro, G. E., Tartaglino, U., and Tosatti, E., “Dynamical phenomena in fast sliding nanotube models”, Philosophical Magazine, vol. 93, pp. 922–948, 2013.
E. Guarini, Bafile, U., Barocchi, F., De Francesco, A., Farhi, E., Formisano, F., Laloni, A., Orecchini, A., Polidori, A., Puglini, M., and Sacchetti, F., “Dynamics of liquid Au from neutron Brillouin scattering and ab initio simulations: Analogies in the behavior of metallic and insulating liquids”, Physical Review B, vol. 88, p. 104201, 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.
M. Masia, “Estimating Chloride Polarizability in a Water Solution”, Journal of Physical Chemistry A, vol. 117, pp. 3221–3226, 2013.
D. Russo, Gonzalez, M. Angel, Pellegrini, E., Combet, J., Ollivier, J., and Teixeira, J., “Evidence of Dynamical Constraints Imposed by Water Organization around a Bio-Hydrophobic Interface”, Journal of Physical Chemistry B, vol. 117, pp. 2829–2836, 2013.
A. Crepaldi, Cilento, F., Ressel, B., Cacho, C., Johannsen, J. C., Zacchigna, M., Berger, H., Bugnon, P., Grazioli, C., Turcu, I. C. E., Springate, E., Kern, K., Grioni, M., and Parmigiani, F., “Evidence of reduced surface electron-phonon scattering in the conduction band of Bi2Se3 by nonequilibrium ARPES”, Physical Review B, vol. 88, p. 121404, 2013.
R. Ciancio, Vittadini, A., Selloni, A., Arpaia, R., Aruta, C., Granozio, F. Miletto, di Uccio, U. Scotti, Rossi, G., and Carlino, E., “Evolution of nanostructures of anatase TiO2 thin films grown on (001) LaAlO3”, Journal of Nanoparticle Research, vol. 15, p. UNSP 1735, 2013.
M. Bergamino, Relini, A., Rispoli, P., Giachini, L., d'Acapito, F., and Rolandi, R., “An EXAFS study of the binding of Cd and Pb ions to lipid films”, European Physical Journal E, vol. 36, p. 102, 2013.

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