One step towards bridging the materials gap: surface studies of TiO2 anatase von Diebold, U., Ruzycki, N., Herman, G.S., Selloni, A.

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Structure of the rutile TiO2(011) surface in an aqueous environment von Aschauer, U, Selloni, A

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Density Functional Theory and Electron Paramagnetic Resonance Study on the Effect of N−F Codoping of TiO2 von Di Valentin, C, Finazzi, E, Pacchioni, G, Selloni, A, Livraghi, S, Czoska, A. M, Paganini, M. C, Giamello, E

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The SPEAK study rationale and design: A linguistic corpus-based approach to understanding thought disorder von Bayer, J.M.M., Spark, J., Krcmar, M., Formica, M., Gwyther, K., Srivastava, A., Selloni, A., Cotter, M., Hartmann, J., Polari, A., Bilgrami, Z.R., Sarac, C., Lu, A., Yung, Alison R., McGowan, A., McGorry, P., Shah, J.L., Cecchi, G.A., Mizrahi, R., Nelson, B., Corcoran, C.M.

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Formic Acid Adsorption on Dry and Hydrated TiO2 Anatase (101) Surfaces by DFT Calculations von Vittadini, A, Selloni, A, Rotzinger, F. P, Grätzel, M

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A density functional study of carbon monoxide adsorption on small cationic, neutral, and anionic gold clusters von Wu, X., Senapati, L., Nayak, S. K., Selloni, A., Hajaligol, M.

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Electronic Structure of Metal/Molecule//Metal Junctions:  A Density Functional Theory Study of the Influence of the Molecular Terminal Group von Sun, Q, Selloni, A, Scoles, G

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First-principles string molecular dynamics: an efficient approach for finding chemical reaction pathways von Kanai, Y, Tilocca, A, Selloni, A, Car, R

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Reactivity of Anatase TiO2 Nanoparticles:  The Role of the Minority (001) Surface von Gong, Xue-Qing, Selloni, Annabella

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Electronic properties of metal–molecule–metal systems at zero bias: A periodic density functional study von Piccinin, S., Selloni, A., Scandolo, S., Car, R., Scoles, G.

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Massive Codesign: A Proposal for a Collaborative Design Framework von Meroni, Anna

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Theory of Carbon Doping of Titanium Dioxide von Di Valentin, Cristiana, Pacchioni, Gianfranco, Selloni, Annabella

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Structure and Dynamics of Small Metallic Clusters on an Insulating Metal-Oxide Surface: Copper on MgO(100) von Musolino, V., Selloni, A., Car, R.

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Characterization of Paramagnetic Species in N-Doped TiO2 Powders by EPR Spectroscopy and DFT Calculations von Di Valentin, Cristiana, Pacchioni, Gianfranco, Selloni, Annabella, Livraghi, Stefano, Giamello, Elio

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Combined Experimental and DFT-TDDFT Computational Study of Photoelectrochemical Cell Ruthenium Sensitizers von Nazeeruddin, Mohammad K, De Angelis, Filippo, Fantacci, Simona, Selloni, Annabella, Viscardi, Guido, Liska, Paul, Ito, Seigo, Takeru, Bessho, Grätzel, Michael

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The adsorption of small molecules on the TiO2 anatase (101) surface by first-principles molecular dynamics von Selloni, A, Vittadini, A, Grätzel, M

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Binding sites, migration paths, and barriers for hydrogen on Si(111)-(7 x 7) von Vittadini, A, Selloni, A

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Density Functional Theory Study of Formic Acid Adsorption on Anatase TiO2(001):  Geometries, Energetics, and Effects of Coverage, Hydration, and Reconstruction von Gong, Xue-Qing, Selloni, Annabella, Vittadini, Andrea

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Adsorption modes of cysteine on Au(111): thiolate, amino-thiolate, disulfide von Di Felice, Rosa, Selloni, Annabella

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Dopamine D1R Receptor Stimulation as a Mechanistic Pro-cognitive Target for Schizophrenia von Abi-Dargham, Anissa, Javitch, Jonathan A, Slifstein, Mark, Anticevic, Alan, Calkins, Monica E, Cho, Youngsun T, Fonteneau, Clara, Gil, Roberto, Girgis, Ragy, Gur, Raquel E, Gur, Ruben C, Grinband, Jack, Kantrowitz, Joshua, Kohler, Christian, Krystal, John, Murray, John, Ranganathan, Mohini, Santamauro, Nicole, Van Snellenberg, Jared, Tamayo, Zailyn, Wolf, Daniel, Gray, David, Lieberman, Jeffrey

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