| Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers S Mathew, A Yella, P Gao, R Humphry-Baker, BFE Curchod, ... Nature chemistry 6 (3), 242-247, 2014 | 4717 | 2014 |
| Ab initio nonadiabatic quantum molecular dynamics BFE Curchod, TJ Martínez Chemical Reviews 118 (7), 3305-3336, 2018 | 495 | 2018 |
| Acid-induced degradation of phosphorescent dopants for OLEDs and its application to the synthesis of tris-heteroleptic iridium (III) bis-cyclometalated complexes E Baranoff, BFE Curchod, J Frey, R Scopelliti, F Kessler, I Tavernelli, ... Inorganic chemistry 51 (1), 215-224, 2012 | 199 | 2012 |
| Trajectory‐based nonadiabatic dynamics with time‐dependent density functional theory BFE Curchod, U Rothlisberger, I Tavernelli ChemPhysChem 14 (7), 1314-1340, 2013 | 198 | 2013 |
| FIrpic: archetypal blue phosphorescent emitter for electroluminescence E Baranoff, BFE Curchod Dalton Transactions 44, 8318, 2015 | 187 | 2015 |
| Molecular Engineering of a Fluorene Donor for Dye-Sensitized Solar Cells A Yella, R Humphry-Baker, BFE Curchod, N Ashari Astani, J Teuscher, ... Chemistry of Materials 25 (13), 2733–2739, 2013 | 166 | 2013 |
| Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm–Dancoff approximation and beyond I Tavernelli, BFE Curchod, A Laktionov, U Rothlisberger The Journal of chemical physics 133 (19), 2010 | 127 | 2010 |
| Nonadiabatic molecular dynamics with solvent effects: A LR-TDDFT QM/MM study of ruthenium (II) tris (bipyridine) in water I Tavernelli, BFE Curchod, U Rothlisberger Chemical Physics 391 (1), 101-109, 2011 | 124 | 2011 |
| Influence of halogen atoms on a homologous series of bis-cyclometalated iridium (III) complexes E Baranoff, BFE Curchod, F Monti, F Steimer, G Accorsi, I Tavernelli, ... Inorganic Chemistry 51 (2), 799-811, 2012 | 115 | 2012 |
| The charge transfer problem in density functional theory calculations of aqueously solvated molecules CM Isborn, BD Mar, BFE Curchod, I Tavernelli, TJ Martinez The Journal of Physical Chemistry B 117 (40), 12189-12201, 2013 | 110 | 2013 |
| Structure–property relationships based on Hammett constants in cyclometalated iridium (III) complexes: their application to the design of a fluorine-free FIrPic-like emitter J Frey, BFE Curchod, R Scopelliti, I Tavernelli, U Rothlisberger, ... Dalton Transactions 43 (15), 5667-5679, 2014 | 104 | 2014 |
| Communication: GAIMS—Generalized Ab Initio Multiple Spawning for both internal conversion and intersystem crossing processes BFE Curchod, C Rauer, P Marquetand, L González, TJ Martínez The Journal of Chemical Physics 144 (10), 2016 | 94 | 2016 |
| On nonadiabatic coupling vectors in time-dependent density functional theory I Tavernelli, BFE Curchod, U Rothlisberger The Journal of chemical physics 131 (19), 2009 | 93 | 2009 |
| Trajectory-based solution of the nonadiabatic quantum dynamics equations: an on-the-fly approach for molecular dynamics simulations BFE Curchod, I Tavernelli, U Rothlisberger Physical Chemistry Chemical Physics 13 (8), 3231-3236, 2011 | 84 | 2011 |
| Criegee intermediate–alcohol reactions, a potential source of functionalized hydroperoxides in the atmosphere MR McGillen, BFE Curchod, R Chhantyal-Pun, JM Beames, N Watson, ... ACS Earth and Space Chemistry 1 (10), 664-672, 2017 | 80 | 2017 |
| Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds A Prlj, BFE Curchod, A Fabrizio, L Floryan, C Corminboeuf The Journal of Physical Chemistry Letters 6, 13-21, 2015 | 75 | 2015 |
| Towards Compatibility between Ruthenium Sensitizers and Cobalt Electrolytes in Dye‐Sensitized Solar Cells LE Polander, A Yella, BFE Curchod, N Ashari Astani, J Teuscher, ... Angewandte Chemie International Edition 52 (333), 8731–8735, 2013 | 72 | 2013 |
| On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping BFE Curchod, I Tavernelli The Journal of Chemical Physics 138 (18), 2013 | 71 | 2013 |
| GPU-accelerated state-averaged complete active space self-consistent field interfaced with ab initio multiple spawning unravels the photodynamics of provitamin D3 JW Snyder Jr, BFE Curchod, TJ Martínez The journal of physical chemistry letters 7 (13), 2444-2449, 2016 | 70 | 2016 |
| Different flavors of nonadiabatic molecular dynamics F Agostini, BFE Curchod Wiley Interdisciplinary Reviews: Computational Molecular Science 9, e1417, 2019 | 68 | 2019 |
ivano tavernelliIBM Research - Zurich (ita'at'zurich.ibm.com)Email verificata su zurich.ibm.com
