Support nanostructure boosts oxygen transfer to catalytically active platinum nanoparticles GN Vayssilov, Y Lykhach, A Migani, T Staudt, GP Petrova, N Tsud, ... Nature materials 10 (4), 310-315, 2011 | 884 | 2011 |
Dramatic reduction of the oxygen vacancy formation energy in ceria particles: a possible key to their remarkable reactivity at the nanoscale A Migani, GN Vayssilov, ST Bromley, F Illas, KM Neyman Journal of Materials Chemistry 20 (46), 10535-10546, 2010 | 223 | 2010 |
Greatly facilitated oxygen vacancy formation in ceria nanocrystallites A Migani, GN Vayssilov, ST Bromley, F Illas, KM Neyman Chemical Communications 46 (32), 5936-5938, 2010 | 206 | 2010 |
Density functional studies of model cerium oxide nanoparticles C Loschen, A Migani, ST Bromley, F Illas, KM Neyman Physical Chemistry Chemical Physics 10 (37), 5730-5738, 2008 | 161 | 2008 |
Formation of Superoxide Anions on Ceria Nanoparticles by Interaction of Molecular Oxygen with Ce3+ Sites G Preda, A Migani, KM Neyman, ST Bromley, F Illas, G Pacchioni The Journal of Physical Chemistry C 115 (13), 5817-5822, 2011 | 130 | 2011 |
A systematic study of the structure and bonding of halogens on low-index transition metal surfaces A Migani, F Illas The Journal of Physical Chemistry B 110 (24), 11894-11906, 2006 | 121 | 2006 |
Relationship between photoisomerization path and intersection space in a retinal chromophore model A Migani, MA Robb, M Olivucci Journal of the American Chemical Society 125 (9), 2804-2808, 2003 | 117 | 2003 |
Modeling thymine photodimerizations in DNA: mechanism and correlation diagrams L Blancafort, A Migani Journal of the American Chemical Society 129 (47), 14540-14541, 2007 | 108 | 2007 |
Effects of deposited Pt particles on the reducibility of CeO 2 (111) A Bruix, A Migani, GN Vayssilov, KM Neyman, J Libuda, F Illas Physical Chemistry Chemical Physics 13 (23), 11384-11392, 2011 | 100 | 2011 |
CASPT2//CASSCF and TDDFT//CASSCF mapping of the excited state isomerization path of a minimal model of the retinal chromophore S Fantacci, A Migani, M Olivucci The Journal of Physical Chemistry A 108 (7), 1208-1213, 2004 | 97 | 2004 |
Probing the photochemical funnel of a retinal chromophore model via zero-point energy sampling semiclassical dynamics O Weingart, A Migani, M Olivucci, MA Robb, V Buss, P Hunt The Journal of Physical Chemistry A 108 (21), 4685-4693, 2004 | 93 | 2004 |
An Extended Conical Intersection Seam Associated with a Manifold of Decay Paths: Excited-State Intramolecular Proton Transfer in O-Hydroxybenzaldehyde A Migani, L Blancafort, MA Robb, AD DeBellis Journal of the American Chemical Society 130 (22), 6932-6933, 2008 | 82 | 2008 |
Level Alignment of a Prototypical Photocatalytic System: Methanol on TiO2(110) A Migani, DJ Mowbray, A Iacomino, J Zhao, H Petek, A Rubio Journal of the American Chemical Society 135 (31), 11429-11432, 2013 | 81 | 2013 |
Chemisorption of atomic chlorine on metal surfaces and the interpretation of the induced work function changes A Migani, C Sousa, F Illas Surface science 574 (2-3), 297-305, 2005 | 79 | 2005 |
Quasiparticle level alignment for photocatalytic interfaces AR A Migani, DJ Mowbray, J Zhao, H Petek Journal of chemical theory and computation 10 (5), 2103-2113, 2014 | 75 | 2014 |
Design and photochemical characterization of a biomimetic light-driven Z/E switcher D Sampedro, A Migani, A Pepi, E Busi, R Basosi, L Latterini, F Elisei, ... Journal of the American Chemical Society 126 (30), 9349-9359, 2004 | 74 | 2004 |
Structure of the intersection space associated with Z/E photoisomerization of retinal in rhodopsin proteins A Migani, A Sinicropi, N Ferré, A Cembran, M Garavelli, M Olivucci Faraday Discussions 127, 179-191, 2004 | 72 | 2004 |
Excitonic Interfacial Proton-Coupled Electron Transfer Mechanism in the Photocatalytic Oxidation of Methanol to Formaldehyde on TiO2(110) A Migani, L Blancafort Journal of the American Chemical Society 138 (49), 16165-16173, 2016 | 71 | 2016 |
A global picture of the S1/S0 conical intersection seam of benzene Q Li, D Mendive-Tapia, MJ Paterson, A Migani, MJ Bearpark, MA Robb, ... Chemical Physics 377 (1-3), 60-65, 2010 | 70 | 2010 |
Exploring Ce3+/Ce4+ cation ordering in reduced ceria nanoparticles using interionic-potential and density-functional calculations A Migani, KM Neyman, F Illas, ST Bromley The Journal of chemical physics 131 (6), 2009 | 58 | 2009 |