| A qualitative index of spatial extent in charge-transfer excitations T Le Bahers, C Adamo, I Ciofini Journal of chemical theory and computation 7 (8), 2498-2506, 2011 | 962 | 2011 |
| TD-DFT performance for the visible absorption spectra of organic dyes: conventional versus long-range hybrids D Jacquemin, EA Perpete, GE Scuseria, I Ciofini, C Adamo Journal of chemical theory and computation 4 (1), 123-135, 2008 | 914 | 2008 |
| Accurate simulation of optical properties in dyes D Jacquemin, EA Perpete, I Ciofini, C Adamo Accounts of chemical Research 42 (2), 326-334, 2009 | 510 | 2009 |
| On the performances of the M06 family of density functionals for electronic excitation energies D Jacquemin, EA Perpete, I Ciofini, C Adamo, R Valero, Y Zhao, ... Journal of Chemical Theory and Computation 6 (7), 2071-2085, 2010 | 436 | 2010 |
| Mechanism of the palladium-catalyzed homocoupling of arylboronic acids: Key involvement of a palladium peroxo complex C Adamo, C Amatore, I Ciofini, A Jutand, H Lakmini Journal of the American Chemical Society 128 (21), 6829-6836, 2006 | 421 | 2006 |
| What is the “best” atomic charge model to describe through-space charge-transfer excitations? D Jacquemin, T Le Bahers, C Adamo, I Ciofini Physical Chemistry Chemical Physics 14 (16), 5383-5388, 2012 | 316 | 2012 |
| Through-space charge transfer in rod-like molecules: lessons from theory I Ciofini, T Le Bahers, C Adamo, F Odobel, D Jacquemin The Journal of Physical Chemistry C 116 (22), 11946-11955, 2012 | 254 | 2012 |
| Assessment of functionals for TD-DFT calculations of singlet− triplet transitions D Jacquemin, EA Perpète, I Ciofini, C Adamo Journal of chemical theory and computation 6 (5), 1532-1537, 2010 | 229 | 2010 |
| Photoinduced intramolecular electron transfer in ruthenium and osmium polyads: insights from theory I Ciofini, PP Lainé, F Bedioui, C Adamo Journal of the American Chemical Society 126 (34), 10763-10777, 2004 | 228 | 2004 |
| First-principles modeling of dye-sensitized solar cells: challenges and perspectives F Labat, T Le Bahers, I Ciofini, C Adamo Accounts of Chemical Research 45 (8), 1268-1277, 2012 | 226 | 2012 |
| DFT calculations of molecular magnetic properties of coordination compounds I Ciofini, CA Daul Coordination Chemistry Reviews 238, 187-209, 2003 | 224 | 2003 |
| A TD-DFT investigation of ground and excited state properties in indoline dyes used for dye-sensitized solar cells T Le Bahers, T Pauporté, G Scalmani, C Adamo, I Ciofini Physical chemistry chemical physics 11 (47), 11276-11284, 2009 | 212 | 2009 |
| On the calculation and modeling of magnetic exchange interactions in weakly bonded systems: the case of the ferromagnetic copper (II) μ2-azido bridged complexes C Adamo, V Barone, A Bencini, F Totti, I Ciofini Inorganic chemistry 38 (9), 1996-2004, 1999 | 203 | 1999 |
| Rationally designed ruthenium complexes for 1-and 2-photon photodynamic therapy J Karges, S Kuang, F Maschietto, O Blacque, I Ciofini, H Chao, G Gasser Nature communications 11 (1), 3262, 2020 | 199 | 2020 |
| Wavelength‐emission tuning of ZnO nanowire‐based light‐emitting diodes by Cu doping: experimental and computational insights O Lupan, T Pauporté, T Le Bahers, B Viana, I Ciofini Advanced Functional Materials 21 (18), 3564-3572, 2011 | 194 | 2011 |
| Rationally designed long-wavelength absorbing Ru (II) polypyridyl complexes as photosensitizers for photodynamic therapy J Karges, F Heinemann, M Jakubaszek, F Maschietto, C Subecz, M Dotou, ... Journal of the American Chemical Society 142 (14), 6578-6587, 2020 | 157 | 2020 |
| Assessment of the ωB97 family for excited-state calculations D Jacquemin, EA Perpete, I Ciofini, C Adamo Theoretical Chemistry Accounts 128 (1), 127-136, 2011 | 147 | 2011 |
| Ultra-sensitive and selective hydrogen nanosensor with fast response at room temperature based on a single Pd/ZnO nanowire O Lupan, V Postica, F Labat, I Ciofini, T Pauporte, R Adelung Sensors and Actuators B: Chemical 254, 1259-1270, 2018 | 146 | 2018 |
| First principles modeling of eosin-loaded ZnO films: a step toward the understanding of dye-sensitized solar cell performances F Labat, I Ciofini, HP Hratchian, M Frisch, K Raghavachari, C Adamo Journal of the American Chemical Society 131 (40), 14290-14298, 2009 | 143 | 2009 |
| Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins D Jacquemin, EA Perpète, G Scalmani, MJ Frisch, X Assfeld, I Ciofini, ... The Journal of chemical physics 125 (16), 2006 | 142 | 2006 |
