Time-dependent density functional tight binding: new formulation and benchmark of excited states F Trani, G Scalmani, G Zheng, I Carnimeo, MJ Frisch, V Barone Journal of Chemical Theory and Computation 7 (10), 3304-3313, 2011 | 143 | 2011 |
Simultaneously B-and P-doped silicon nanoclusters: Formation energies and electronic properties S Ossicini, E Degoli, F Iori, E Luppi, R Magri, G Cantele, F Trani, D Ninno Applied Physics Letters 87 (17), 2005 | 121 | 2005 |
Tight-binding calculation of the optical absorption cross section of spherical and ellipsoidal silicon nanocrystals F Trani, G Cantele, D Ninno, G Iadonisi Physical Review B—Condensed Matter and Materials Physics 72 (7), 075423, 2005 | 116 | 2005 |
Ab initio calculations of electron affinity and ionization potential of carbon nanotubes F Buonocore, F Trani, D Ninno, A Di Matteo, G Cantele, G Iadonisi Nanotechnology 19 (2), 025711, 2007 | 113 | 2007 |
Engineering silicon nanocrystals: theoretical study of the effect of codoping with boron and phosphorus F Iori, E Degoli, R Magri, I Marri, G Cantele, D Ninno, F Trani, O Pulci, ... Physical Review B—Condensed Matter and Materials Physics 76 (8), 085302, 2007 | 113 | 2007 |
The rutile TiO2 (110) surface: Obtaining converged structural properties from first-principles calculations KJ Hameeuw, G Cantele, D Ninno, F Trani, G Iadonisi The Journal of chemical physics 124 (2), 2006 | 112 | 2006 |
Effects of Electronic and Lattice Polarization on the Band Structure<? format?> of Delafossite Transparent Conductive Oxides J Vidal, F Trani, F Bruneval, MAL Marques, S Botti Physical Review Letters 104 (13), 136401, 2010 | 108 | 2010 |
Density functional study of oxygen vacancies at the surface and subsurface sites F Trani, M Causà, D Ninno, G Cantele, V Barone Physical Review B—Condensed Matter and Materials Physics 77 (24), 245410, 2008 | 92 | 2008 |
Band structures of delafossite transparent conductive oxides from a self-consistent approach F Trani, J Vidal, S Botti, MAL Marques Physical Review B—Condensed Matter and Materials Physics 82 (8), 085115, 2010 | 85 | 2010 |
Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case M Biczysko, J Bloino, G Brancato, I Cacelli, C Cappelli, A Ferretti, A Lami, ... Theoretical Chemistry Accounts 131, 1-19, 2012 | 78 | 2012 |
DFT Study on Anatase TiO2 Nanowires: Structure and Electronic Properties As Functions of Size, Surface Termination, and Morphology A Iacomino, G Cantele, F Trani, D Ninno The Journal of Physical Chemistry C 114 (29), 12389-12400, 2010 | 57 | 2010 |
Direct role of surface oxygen vacancies in visible light emission of tin dioxide nanowires S Lettieri, M Causa, A Setaro, F Trani, V Barone, D Ninno, P Maddalena The Journal of Chemical Physics 129 (24), 2008 | 46 | 2008 |
Role of surface oxygen vacancies in photoluminescence of tin dioxide nanobelts F Trani, M Causa, S Lettieri, A Setaro, D Ninno, V Barone, P Maddalena Microelectronics journal 40 (2), 236-238, 2009 | 43 | 2009 |
Understanding doping in silicon nanostructures S Ossicini, F Iori, E Degoli, E Luppi, R Magri, R Poli, G Cantele, F Trani, ... IEEE Journal of selected topics in quantum electronics 12 (6), 1585-1591, 2006 | 43 | 2006 |
Screening in semiconductor nanocrystals: Ab initio results and Thomas-Fermi theory F Trani, D Ninno, G Cantele, G Iadonisi, K Hameeuw, E Degoli, S Ossicini Physical Review B—Condensed Matter and Materials Physics 73 (24), 245430, 2006 | 42 | 2006 |
Doping in silicon nanocrystals: an ab initio study of the structural, electronic and optical properties F Iori, E Degoli, E Luppi, R Magri, I Marri, G Cantele, D Ninno, F Trani, ... Journal of Luminescence 121 (2), 335-339, 2006 | 39 | 2006 |
Role of local fields in the optical properties of silicon nanocrystals using the tight binding approach F Trani, D Ninno, G Iadonisi Physical Review B—Condensed Matter and Materials Physics 75 (3), 033312, 2007 | 33 | 2007 |
Influence of surface and subsurface defects on the behavior of the rutile TiO2(110) surface K Hameeuw, G Cantele, D Ninno, F Trani, G Iadonisi physica status solidi (a) 203 (9), 2219-2222, 2006 | 33 | 2006 |
Design and validation of a two-tier questionnaire on basic aspects in quantum mechanics U Scotti di Uccio, A Colantonio, S Galano, I Marzoli, F Trani, I Testa Physical Review Physics Education Research 15 (1), 010137, 2019 | 32 | 2019 |
Development and validation of a university students’ progression in learning quantum mechanics through exploratory factor analysis and Rasch analysis I Testa, G Capasso, A Colantonio, S Galano, I Marzoli, U Scotti di Uccio, ... International Journal of Science Education 41 (3), 388-417, 2019 | 28 | 2019 |