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Polarization of molecular angular momentum in the chemical reactions Li + HF and F + HD |
Mikhail B. Krasilnikov, Ruslan S. Popov, Octavio Roncero, Dario De Fazio, Simonetta Cavalli, Vincenzo Aquilanti, Oleg S. Vasyutinskii |
2013 |
The Journal of Chemical Physics |
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Signature of Two-Electron Interference in Angular Resolved Double Photoionization of Mg |
E. Sokell, P. Bolognesi, A. Kheifets, I. Bray, S. Safgren, L. Avaldi |
2013 |
Physical Review Letters |
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The Role of the Partner Atom and Resonant Excitation Energy in Interatomic Coulombic Decay in Rare Gas Dimers |
Patrick O’Keeffe, Enrico Ripani, Paola Bolognesi, Marcello Coreno, Michele Devetta, Carlo Callegari, Michele Di Fraia, Kevin Charles Prince, Robert Richter, Michele Alagia, Antti Kivimäki, Lorenzo Avaldi |
2013 |
The Journal of Physical Chemistry Letters |
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Stabilization of tetragonal/cubic phase in Fe doped zirconia grown by atomic layer deposition |
A. Lamperti, E. Cianci, R. Ciprian, D. Sangalli, A. Debernardi |
2013 |
Thin Solid Films |
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Competition between the electronic and phonon–mediated scattering channels in the out–of–equilibrium carrier dynamics of semiconductors: an ab-initio approach |
Andrea Marini |
2012 |
Journal of Physics: Conference Series |
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A hybrid zinc phthalocyanine/zinc oxide system for photovoltaic devices: a DFT and TDDFPT theoretical investigation |
Giuseppe Mattioli, Francesco Filippone, Paola Alippi, Paolo Giannozzi, Aldo Amore Bonapasta |
2012 |
J. Mater. Chem. |
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Zinc Oxide–Zinc Phthalocyanine Interface for Hybrid Solar Cells |
Giuseppe Mattioli, Claudio Melis, Giuliano Malloci, Francesco Filippone, Paola Alippi, Paolo Giannozzi, Alessandro Mattoni, Aldo Amore Bonapasta |
2012 |
The Journal of Physical Chemistry C |
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Clusters and Magnetic Anchoring Points in (Ga,Fe)N Condensed Magnetic Semiconductors |
Francesco Filippone, Giuseppe Mattioli, Paola Alippi, Aldo Amore Bonapasta |
2011 |
Physical Review Letters |
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Protonation states in a cobalt-oxide catalyst for water oxidation: fine comparison of ab initio molecular dynamics and X-ray absorption spectroscopy results |
Giuseppe Mattioli, Marcel Risch, Aldo Amore Bonapasta, Holger Dau, Leonardo Guidoni |
2011 |
Physical Chemistry Chemical Physics |
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Synthesis of a novel unsymmetrical Zn(ii) phthalocyanine bearing a phenyl ethynyl moiety as sensitizer for dye-sensitized solar cells |
Gloria Zanotti, Nicola Angelini, Anna Maria Paoletti, Giovanna Pennesi, Gentilina Rossi, Aldo Amore Bonapasta, Giuseppe Mattioli, Aldo Di Carlo, Thomas M. Brown, Angelo Lembo, Andrea Reale |
2011 |
Dalton Trans. |
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Deep versus Shallow Behavior of Intrinsic Defects in Rutile and Anatase TiO2 Polymorphs |
Giuseppe Mattioli, Paola Alippi, Francesco Filippone, Ruggero Caminiti, Aldo Amore Bonapasta |
2010 |
The Journal of Physical Chemistry C |
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Controlling the Magnetic Properties of a Single Phthalocyanine Molecule through its Strong Coupling with the GaAs Surface |
G. Mattioli, F. Filippone, A. Amore Bonapasta |
2010 |
The Journal of Physical Chemistry Letters |
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Oxygen vacancies and OH species in rutile and anatase TiO2 polymorphs |
Aldo Amore Bonapasta, Francesco Filippone, Giuseppe Mattioli, Paola Alippi |
2009 |
Catalysis Today |
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Investigation of Halogenated Pyrimidines by X-ray Photoemission Spectroscopy and Theoretical DFT Methods |
P. Bolognesi, G. Mattioli, P. O’Keeffe, V. Feyer, O. Plekan, Y. Ovcharenko, K. C. Prince, M. Coreno, A. Amore Bonapasta, L. Avaldi |
2009 |
The Journal of Physical Chemistry A |
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Properties of hydrogen and hydrogen–vacancy complexes in the rutile phase of titanium dioxide |
F. Filippone, G. Mattioli, P. Alippi, A. Amore Bonapasta |
2009 |
Physical Review B |
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Ab initio Theoretical Investigation of Phthalocyanine−Semiconductor Hybrid Systems |
G. Mattioli, F. Filippone, P. Giannozzi, R. Caminiti, A. Amore Bonapasta |
2009 |
Chemistry of Materials |
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Hydrogen and interstitial Mn complexes in MnxGa1−xAs dilute magnetic semiconductors |
F Filippone, G Mattioli, A Amore Bonapasta |
2008 |
Journal of Physics: Condensed Matter |
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Ab initiostudy of the electronic states induced by oxygen vacancies in rutile and anataseTiO2 |
G. Mattioli, F. Filippone, P. Alippi, A. Amore Bonapasta |
2008 |
Physical Review B |
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Short Hydrogen Bonds at the Water/TiO2 (Anatase) Interface |
G. Mattioli, F. Filippone, R. Caminiti, A. Amore Bonapasta |
2008 |
The Journal of Physical Chemistry C |
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Theoretical Design of Coupled Organic-Inorganic Systems |
G. Mattioli, F. Filippone, P. Giannozzi, R. Caminiti, A. Amore Bonapasta |
2008 |
Physical Review Letters |
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Multiple-hydrogen complexes in dilute nitride alloys |
A. Amore Bonapasta, F. Filippone, G. Mattioli |
2007 |
AIP Conference Proceedings |
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H-Induced Dangling Bonds in H–Isoelectronic-Impurity Complexes Formed inGaAs1−y |
A. Amore Bonapasta, F. Filippone, G. Mattioli |
2007 |
Physical Review Letters |
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Reaction intermediates and pathways in the photoreduction of oxygen molecules at the (101) TiO2 (anatase) surface |
Francesco Filippone, Giuseppe Mattioli, Aldo Amore Bonapasta |
2007 |
Catalysis Today |
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Reaction Intermediates in the Photoreduction of Oxygen Molecules at the (101) TiO2 (Anatase) Surface |
Giuseppe Mattioli, Francesco Filippone, Aldo Amore Bonapasta |
2006 |
Journal of the American Chemical Society |
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