| Simultaneous visualization of covalent and noncovalent interactions using regions of density overlap P De Silva, C Corminboeuf Journal of chemical theory and computation 10 (9), 3745-3756, 2014 | 215 | 2014 |
| Thermally activated delayed fluorescent donor–acceptor–donor–acceptor π-conjugated macrocycle for organic light-emitting diodes S Izumi, HF Higginbotham, A Nyga, P Stachelek, N Tohnai, P Silva, ... Journal of the American Chemical Society 142 (3), 1482-1491, 2020 | 125 | 2020 |
| Inverted singlet–triplet gaps and their relevance to thermally activated delayed fluorescence P de Silva The Journal of Physical Chemistry Letters 10 (18), 5674-5679, 2019 | 105 | 2019 |
| Shorter Exciton Lifetimes via an External Heavy‐Atom Effect: Alleviating the Effects of Bimolecular Processes in Organic Light‐Emitting Diodes M Einzinger, T Zhu, P de Silva, C Belger, TM Swager, T Van Voorhis, ... Advanced Materials 29 (40), 1701987, 2017 | 97 | 2017 |
| Extracting design principles for efficient thermally activated delayed fluorescence (TADF) from a simple four-state model P de Silva, CA Kim, T Zhu, T Van Voorhis Chemistry of materials 31 (17), 6995-7006, 2019 | 93 | 2019 |
| Revealing the bonding pattern from the molecular electron density using single exponential decay detector: an orbital‐free alternative to the electron localization function P de Silva, J Korchowiec, TA Wesolowski ChemPhysChem 13 (15), 3462-3465, 2012 | 53 | 2012 |
| Heavy-atom-free room-temperature phosphorescent organic light-emitting diodes enabled by excited states engineering HF Higginbotham, M Okazaki, P de Silva, S Minakata, Y Takeda, P Data ACS Applied Materials & Interfaces 13 (2), 2899-2907, 2021 | 51 | 2021 |
| Use of non-additive Fisher information in probing chemical bonds RF Nalewajski, P de Silva, J Mrozek Journal of Molecular Structure: THEOCHEM 954 (1-3), 57-74, 2010 | 48 | 2010 |
| Molecular engineering strategies for symmetric aqueous organic redox flow batteries RP Fornari, M Mesta, J Hjelm, T Vegge, P de Silva ACS Materials Letters 2 (3), 239-246, 2020 | 46 | 2020 |
| Local hybrid functionals with orbital-free mixing functions and balanced elimination of self-interaction error P De Silva, C Corminboeuf The Journal of Chemical Physics 142 (7), 2015 | 41 | 2015 |
| Molecular modeling of organic redox‐active battery materials RP Fornari, P de Silva Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (2), e1495, 2021 | 31* | 2021 |
| Visualizing and quantifying interactions in the excited state L Vannay, E Brémond, P de Silva, C Corminboeuf Chemistry–A European Journal 22 (51), 18442-18449, 2016 | 30 | 2016 |
| Exact non-additive kinetic potentials in realistic chemical systems P De Silva, TA Wesolowski The Journal of chemical physics 137 (9), 2012 | 30 | 2012 |
| Revealing the internal heavy chalcogen atom effect on the photophysics of the dibenzo [a, j] phenazine-cored donor–acceptor–donor triad S Goto, Y Nitta, NO Decarli, LE de Sousa, P Stachelek, N Tohnai, ... Journal of Materials Chemistry C 9 (39), 13942-13953, 2021 | 29 | 2021 |
| QM/MM study of static and dynamic energetic disorder in the emission layer of an organic light-emitting diode P de Silva, T Van Voorhis The journal of physical chemistry letters 9 (6), 1329-1334, 2018 | 29 | 2018 |
| Fast orbital localization scheme in molecular fragments resolution. P de Silva, M Giebułtowski, J Korchowiec Physical chemistry chemical physics: PCCP, 2011 | 29 | 2011 |
| Unified framework for photophysical rate calculations in tadf molecules LE de Sousa, P de Silva Journal of Chemical Theory and Computation 17 (9), 5816-5824, 2021 | 27 | 2021 |
| Pure-state noninteracting v-representability of electron densities from Kohn-Sham calculations with finite basis sets P De Silva, TA Wesolowski Physical Review A 85 (3), 032518, 2012 | 26 | 2012 |
| Atomic shell structure from the single-exponential decay detector P De Silva, J Korchowiec, TA Wesolowski The Journal of chemical physics 140 (16), 2014 | 24 | 2014 |
| Elongation cutoff technique at Kohn–Sham level of theory J Korchowiec, P de Silva, M Makowski, FL Gu, Y Aoki International Journal of Quantum Chemistry 110 (12), 2130-2139, 2010 | 24 | 2010 |
Youhei Takeda, Ph.D.Department of Applied Chemistry, Graduate School of Engineering, OsakaVerified email at chem.eng.osaka-u.ac.jp
