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 | 301 | 2019 |
Electronic processes at organic− organic interfaces: Insight from modeling and implications for opto-electronic devices D Beljonne, J Cornil, L Muccioli, C Zannoni, JL Brédas, F Castet Chemistry of Materials 23 (3), 591-609, 2011 | 228 | 2011 |
Surface supramolecular organization of a terbium (III) double-decker complex on graphite and its single molecule magnet behavior M Gonidec, R Biagi, V Corradini, F Moro, V De Renzi, U Del Pennino, ... Journal of the American Chemical Society 133 (17), 6603-6612, 2011 | 226 | 2011 |
Ferroelectric response and induced biaxiality in the nematic phase of bent‐core mesogens O Francescangeli, V Stanic, SI Torgova, A Strigazzi, N Scaramuzza, ... Advanced Functional Materials 19 (16), 2592-2600, 2009 | 217 | 2009 |
Towards in Silico Liquid Crystals. Realistic Transition Temperatures and Physical Properties for n‐Cyanobiphenyls via Molecular Dynamics Simulations G Tiberio, L Muccioli, R Berardi, C Zannoni ChemPhysChem 10 (1), 125-136, 2009 | 211 | 2009 |
Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics G D’Avino, L Muccioli, F Castet, C Poelking, D Andrienko, ZG Soos, ... Journal of Physics: Condensed Matter 28 (43), 433002, 2016 | 187 | 2016 |
How Does the Trans–Cis Photoisomerization of Azobenzene Take Place in Organic Solvents? G Tiberio, L Muccioli, R Berardi, C Zannoni ChemPhysChem 11 (5), 1018-1028, 2010 | 186 | 2010 |
Computer simulations of biaxial nematics R Berardi, L Muccioli, S Orlandi, M Ricci, C Zannoni Journal of Physics: Condensed Matter 20 (46), 463101, 2008 | 164 | 2008 |
Energetics of electron–hole separation at P3HT/PCBM heterojunctions G D’Avino, S Mothy, L Muccioli, C Zannoni, L Wang, J Cornil, D Beljonne, ... The Journal of Physical Chemistry C 117 (25), 12981-12990, 2013 | 157 | 2013 |
Computational design of thermally activated delayed fluorescence materials: The challenges ahead Y Olivier, JC Sancho-Garcia, L Muccioli, G D’Avino, D Beljonne The journal of physical chemistry letters 9 (20), 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 | 146 | 2017 |
Can nematic transitions be predicted by atomistic simulations? A computational study of the odd–even effect R Berardi, L Muccioli, C Zannoni ChemPhysChem 5 (1), 104-111, 2004 | 141 | 2004 |
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 | 122 | 2015 |
Field response and switching times in biaxial nematics R Berardi, L Muccioli, C Zannoni The Journal of chemical physics 128 (2), 2008 | 122 | 2008 |
Charge separation and recombination at polymer–fullerene heterojunctions: Delocalization and hybridization effects G D’Avino, L Muccioli, Y Olivier, D Beljonne The journal of physical chemistry letters 7 (3), 536-540, 2016 | 116 | 2016 |
Theoretical characterization of the structural and hole transport dynamics in liquid-crystalline phthalocyanine stacks Y Olivier, L Muccioli, V Lemaur, YH Geerts, C Zannoni, J Cornil The Journal of Physical Chemistry B 113 (43), 14102-14111, 2009 | 114 | 2009 |
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 | 113 | 2017 |
Simulation of Vapor‐Phase Deposition and Growth of a Pentacene Thin Film on C60 (001) L Muccioli, G D'Avino, C Zannoni Advanced materials 23 (39), 4532-4536, 2011 | 113 | 2011 |
An atomistic description of the nematic and smectic phases of 4-n-octyl-4′ cyanobiphenyl (8CB) MF Palermo, A Pizzirusso, L Muccioli, C Zannoni The Journal of chemical physics 138 (20), 2013 | 102 | 2013 |
Electronic polarization in organic crystals: a comparative study of induced dipoles and intramolecular charge redistribution schemes G D’Avino, L Muccioli, C Zannoni, D Beljonne, ZG Soos Journal of chemical theory and computation 10 (11), 4959-4971, 2014 | 97 | 2014 |