| Stabilizing and modulating color by copigmentation: Insights from theory and experiment P Trouillas, JC Sancho-García, V De Freitas, J Gierschner, M Otyepka, ... Chemical reviews 116 (9), 4937-4982, 2016 | 519 | 2016 |
| Highly emissive excitons with reduced exchange energy in thermally activated delayed fluorescent molecules A Pershin, D Hall, V Lemaur, JC Sancho-Garcia, L Muccioli, ... Nature communications 10 (1), 597, 2019 | 303 | 2019 |
| Benchmarking density functionals on structural parameters of small-/medium-sized organic molecules É Brémond, M Savarese, NQ Su, ÁJ Pérez-Jiménez, X Xu, ... Journal of chemical theory and computation 12 (2), 459-465, 2016 | 191 | 2016 |
| Electronic and optical properties of polyfluorene and fluorene-based copolymers: A quantum-chemical characterization J Cornil, I Gueli, A Dkhissi, JC Sancho-Garcia, E Hennebicq, JP Calbert, ... The Journal of chemical physics 118 (14), 6615-6623, 2003 | 183 | 2003 |
| Communication: Double-hybrid functionals from adiabatic-connection: The QIDH model É Brémond, JC Sancho-García, ÁJ Pérez-Jiménez, C Adamo The Journal of chemical physics 141 (3), 2014 | 176 | 2014 |
| Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenges Ahead Y Olivier, JC Sancho-García, L Muccioli, G D'Avino, D Beljonne The journal of physical chemistry letters 9, 6149-6163, 2018 | 147 | 2018 |
| Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence Y Olivier, B Yurash, L Muccioli, G D’Avino, O Mikhnenko, ... Physical Review Materials 1 (7), 075602, 2017 | 147 | 2017 |
| Large magnetic exchange coupling in rhombus-shaped nanographenes with zigzag periphery S Mishra, X Yao, Q Chen, K Eimre, O Gröning, R Ortiz, ... Nature chemistry 13 (6), 581-586, 2021 | 126 | 2021 |
| Theoretical rationalization of the singlet–triplet gap in OLEDs materials: impact of charge-transfer character M Moral, L Muccioli, WJ Son, Y Olivier, JC Sancho-Garcia Journal of Chemical Theory and Computation 11 (1), 168-177, 2015 | 125 | 2015 |
| Nonempirical Double-Hybrid Functionals: An Effective Tool for Chemists E Brémond, I Ciofini, JC Sancho-García, C Adamo Accounts of Chemical Research 49, 1503-1513, 2016 | 115 | 2016 |
| Double-hybrid density functionals: merging wavefunction and density approaches to get the best of both worlds JC Sancho-Garcia, C Adamo Physical Chemistry Chemical Physics 15 (35), 14581-14594, 2013 | 113 | 2013 |
| Dynamic nature of excited states of donor–acceptor TADF materials for OLEDs: how theory can reveal structure–property relationships Y Olivier, M Moral, L Muccioli, JC Sancho-García Journal of Materials Chemistry C 5 (23), 5718-5729, 2017 | 112 | 2017 |
| Multireference coupled-cluster calculations on the energy of activation in the automerization of cyclobutadiene: Assessment of the state-specific multireference Brillouin … JC Sancho-Garcı́a, J Pittner, P Čársky, I Hubač The Journal of Chemical Physics 112 (20), 8785-8788, 2000 | 109 | 2000 |
| Highlights on anthocyanin pigmentation and copigmentation: a matter of flavonoid π-stacking complexation to be described by DFT-D F Di Meo, JC Sancho Garcia, O Dangles, P Trouillas Journal of Chemical Theory and Computation 8 (6), 2034-2043, 2012 | 100 | 2012 |
| Assessment of double-hybrid energy functionals for π-conjugated systems JC Sancho-García, AJ Pérez-Jiménez The Journal of chemical physics 131 (8), 2009 | 90 | 2009 |
| Assessment of the reliability of the Perdew–Burke–Ernzerhof functionals in the determination of torsional potentials in π-conjugated molecules JC Sancho-Garcı́a, JL Brédas, J Cornil Chemical physics letters 377 (1-2), 63-68, 2003 | 83 | 2003 |
| Range-separated hybrid density functionals made simple É Brémond, ÁJ Pérez-Jiménez, JC Sancho-García, C Adamo The Journal of Chemical Physics 150 (20), 2019 | 78 | 2019 |
| Exchange Rules for Diradical π-Conjugated Hydrocarbons JFR R. Ortiz, R. A. Boto, N. García-Martínez, J.C. Sancho-García, M. Melle ... Nano Letters 19 (9), 5991-5997, 2019 | 76 | 2019 |
| Deep Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters For Organic Light-Emitting Diodes MY Wong, S Krotkus, G Copley, W Li, C Murawski, D Hall, GJ Hedley, ... ACS applied materials & interfaces 10 (39), 33360-33372, 2018 | 76 | 2018 |
| Effect of an external electric field on the charge transport parameters in organic molecular semiconductors JC Sancho-Garcıa, G Horowitz, JL Brédas, J Cornil The Journal of chemical physics 119 (23), 12563-12568, 2003 | 72 | 2003 |
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