| MXene/polymer membranes: synthesis, properties, and emerging applications L Gao, C Li, W Huang, S Mei, H Lin, Q Ou, Y Zhang, J Guo, F Zhang, S Xu, ... Chemistry of Materials 32 (5), 1703-1747, 2020 | 522 | 2020 |
| Organic laser molecule with high mobility, high photoluminescence quantum yield, and deep-blue lasing characteristics D Liu, J De, H Gao, S Ma, Q Ou, S Li, Z Qin, H Dong, Q Liao, B Xu, Q Peng, ... Journal of the American Chemical Society 142 (13), 6332-6339, 2020 | 105 | 2020 |
| First-order derivative couplings between excited states from adiabatic TDDFT response theory Q Ou, GD Bellchambers, F Furche, JE Subotnik The Journal of chemical physics 142 (6), 2015 | 103 | 2015 |
| Electronic relaxation in benzaldehyde evaluated via TD-DFT and localized diabatization: Intersystem crossings, conical intersections, and phosphorescence Q Ou, JE Subotnik The Journal of Physical Chemistry C 117 (39), 19839-19849, 2013 | 89 | 2013 |
| The requisite electronic structure theory to describe photoexcited nonadiabatic dynamics: Nonadiabatic derivative couplings and diabatic electronic couplings JE Subotnik, EC Alguire, Q Ou, BR Landry, S Fatehi Accounts of chemical research 48 (5), 1340-1350, 2015 | 84 | 2015 |
| Toward quantitative prediction of fluorescence quantum efficiency by combining direct vibrational conversion and surface crossing: BODIPYs as an example Q Ou, Q Peng, Z Shuai The Journal of Physical Chemistry Letters 11 (18), 7790-7797, 2020 | 68 | 2020 |
| Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation Q Ou, S Fatehi, E Alguire, Y Shao, JE Subotnik The Journal of Chemical Physics 141 (2), 2014 | 60 | 2014 |
| Theoretical Characterizations of TADF Materials: Roles of ΔG and the Singlet–Triplet Excited States Interconversion L Wang, Q Ou, Q Peng, Z Shuai The Journal of Physical Chemistry A 125 (7), 1468-1475, 2021 | 59 | 2021 |
| Derivative couplings between time-dependent density functional theory excited states in the random-phase approximation based on pseudo-wavefunctions: Behavior around conical … Q Ou, EC Alguire, JE Subotnik The Journal of Physical Chemistry B 119 (24), 7150-7161, 2015 | 51 | 2015 |
| Computational screen-out strategy for electrically pumped organic laser materials Q Ou, Q Peng, Z Shuai Nature Communications 11 (1), 4485, 2020 | 50 | 2020 |
| Aggregation-enhanced thermally activated delayed fluorescence efficiency for two-coordinate carbene–metal–amide complexes: A QM/MM study S Lin, Q Ou, Y Wang, Q Peng, Z Shuai The Journal of Physical Chemistry Letters 12 (11), 2944-2953, 2021 | 46 | 2021 |
| Quantum-electrodynamical time-dependent density functional theory within Gaussian atomic basis J Yang, Q Ou, Z Pei, H Wang, B Weng, Z Shuai, K Mullen, Y Shao The Journal of chemical physics 155 (6), 2021 | 42 | 2021 |
| Strong Solid-State Fluorescence Induced by Restriction of the Coordinate Bond Bending in Two-Coordinate Copper (I)–Carbene Complexes S Lin, Q Peng, Q Ou, Z Shuai Inorganic Chemistry 58 (21), 14403-14409, 2019 | 39 | 2019 |
| Calculating derivative couplings between time-dependent Hartree–Fock excited states with pseudo-wavefunctions EC Alguire, Q Ou, JE Subotnik The Journal of Physical Chemistry B 119 (24), 7140-7149, 2015 | 39 | 2015 |
| Elucidating the electronic structure of a delayed fluorescence emitter via orbital interactions, excitation energy components, charge-transfer numbers, and vibrational … Z Pei, Q Ou, Y Mao, J Yang, A Lande, F Plasser, W Liang, Z Shuai, ... The journal of physical chemistry letters 12 (11), 2712-2720, 2021 | 37 | 2021 |
| Supramolecular engineering of charge transfer in wide bandgap organic semiconductors with enhanced visible-to-NIR photoresponse Y Yao, Q Ou, K Wang, H Peng, F Fang, Y Shi, Y Wang, DI Asperilla, ... Nature Communications 12 (1), 3667, 2021 | 29 | 2021 |
| Computational selection of thermally activated delayed fluorescence (TADF) molecules with promising electrically pumped lasing property S Lin, Q Ou, Z Shuai ACS Materials Letters 4 (3), 487-496, 2022 | 27 | 2022 |
| A novel molecular descriptor for highly efficient (ϕ TADF> 90%) transition metal TADF Au (iii) complexes Y Wang, Q Peng, Q Ou, S Lin, Z Shuai Journal of Materials Chemistry A 8 (36), 18721-18725, 2020 | 27 | 2020 |
| Intermolecular charge-transfer aggregates enable high-efficiency near-infrared emissions by nonadiabatic coupling suppression J Xue, J Xu, J Ren, Q Liang, Q Ou, R Wang, Z Shuai, J Qiao Science China Chemistry 64 (10), 1786-1795, 2021 | 25 | 2021 |
| Intermolecular charge-transfer-induced strong optical emission from herringbone H-Aggregates Q Sun, J Ren, T Jiang, Q Peng, Q Ou, Z Shuai Nano Letters 21 (12), 5394-5400, 2021 | 22 | 2021 |
