| BODIPY‐based photodynamic agents for exclusively generating superoxide radical over singlet oxygen KX Teng, WK Chen, LY Niu, WH Fang, G Cui, QZ Yang Angewandte Chemie International Edition 60 (36), 19912-19920, 2021 | 299 | 2021 |
| Deep learning for nonadiabatic excited-state dynamics WK Chen, XY Liu, WH Fang, PO Dral, G Cui The journal of physical chemistry letters 9 (23), 6702-6708, 2018 | 166 | 2018 |
| Room-temperature phosphorescence and thermally activated delayed fluorescence in the Pd complex: Mechanism and dual upconversion channels ZW Li, LY Peng, XF Song, WK Chen, YJ Gao, WH Fang, G Cui The Journal of Physical Chemistry Letters 12 (25), 5944-5950, 2021 | 54 | 2021 |
| Aggregation turns BODIPY fluorophores into photosensitizers: Reversibly switching intersystem crossing on and off for smart photodynamic therapy YF Kang, WK Chen, KX Teng, LY Wang, XC Xu, LY Niu, G Cui, QZ Yang CCS Chemistry 4 (11), 3516-3528, 2022 | 39 | 2022 |
| Integrating machine learning with the multilayer energy-based fragment method for excited states of large systems WK Chen, WH Fang, G Cui The Journal of Physical Chemistry Letters 10 (24), 7836-7841, 2019 | 39 | 2019 |
| Theoretical Studies on Excited-State Properties of Au (III) Emitters with Thermally Activated Delayed Fluorescence YJ Gao, WK Chen, TT Zhang, WH Fang, G Cui The Journal of Physical Chemistry C 122 (48), 27608-27619, 2018 | 35 | 2018 |
| Nonadiabatic dynamics simulations reveal distinct effects of the thickness of PTB7 on interfacial electron and hole transfer dynamics in PTB7@ MoS2 heterostructures XY Liu, WK Chen, WH Fang, G Cui The Journal of Physical Chemistry Letters 10 (11), 2949-2956, 2019 | 30 | 2019 |
| QM and ONIOM studies on thermally activated delayed fluorescence of copper (I) complexes in gas phase, solution, and crystal YJ Gao, WK Chen, ZR Wang, WH Fang, G Cui Physical Chemistry Chemical Physics 20 (38), 24955-24967, 2018 | 30 | 2018 |
| Efficient construction of excited-state Hessian matrices with machine learning accelerated multilayer energy-based fragment method WK Chen, Y Zhang, B Jiang, WH Fang, G Cui The Journal of Physical Chemistry A 124 (27), 5684-5695, 2020 | 29 | 2020 |
| A multi-layer energy-based fragment method for excited states and nonadiabatic dynamics WK Chen, WH Fang, G Cui Physical Chemistry Chemical Physics 21 (41), 22695-22699, 2019 | 29 | 2019 |
| Spin–orbit coupling accelerates the photoinduced interfacial electron transfer in a fullerene-based perovskite heterojunction XY Liu, JJ Yang, WK Chen, AV Akimov, WH Fang, G Cui The Journal of Physical Chemistry Letters 12 (4), 1131-1137, 2021 | 26 | 2021 |
| Thermally Activated Delayed Fluorescence Mechanism of a Bicyclic “Carbene–Metal–Amide” Copper Compound: DFT/MRCI Studies and Roles of Excited-State Structure Relaxation XF Song, ZW Li, WK Chen, YJ Gao, G Cui Inorganic Chemistry 61 (20), 7673-7681, 2022 | 25 | 2022 |
| Spin–Orbit Coupling Is the Key to Promote Asynchronous Photoinduced Charge Transfer of Two-Dimensional Perovskites JJ Yang, WK Chen, XY Liu, WH Fang, G Cui JACS Au 1 (8), 1178-1186, 2021 | 19 | 2021 |
| QM/MM studies on thermally activated delayed fluorescence of a dicopper complex in the solid state LY Peng, W Chen, ZW Li, YJ Gao, G Cui The Journal of Physical Chemistry C 125 (49), 27372-27380, 2021 | 18 | 2021 |
| Broadband absorption enhancement in polymer solar cells using highly efficient plasmonic heterostructured nanocrystals H Wang, Y Ding, W Chen, Y Liu, D Tang, G Cui, W Li, J Shi, Z Bo ACS applied materials & interfaces 10 (37), 30919-30924, 2018 | 16 | 2018 |
| Photocatalytic Reduction of CO2 to HCOOH and CO by a Phosphine‐Bipyridine‐Phosphine Ir(III) Catalyst: Photophysics, Nonadiabatic Effects, Mechanism, and … LY Peng, GN Pan, WK Chen, XY Liu, WH Fang, G Cui Angewandte Chemie 136 (5), e202315300, 2024 | 10 | 2024 |
| Nonadiabatic dynamics simulations for photoinduced processes in molecules and semiconductors: Methodologies and applications XY Liu, WK Chen, WH Fang, G Cui Journal of Chemical Theory and Computation 19 (23), 8491-8522, 2023 | 10 | 2023 |
| Thermally activated delayed fluorescence of a Ir (iii) complex: absorption and emission properties, nonradiative rates, and mechanism LY Peng, ZW Li, GN Pan, WK Chen, YJ Gao, G Cui Physical Chemistry Chemical Physics 25 (8), 6454-6460, 2023 | 10 | 2023 |
| Generalized ab initio nonadiabatic dynamics simulation methods from molecular to extended systems BB Xie, PK Jia, KX Wang, WK Chen, XY Liu, G Cui The Journal of Physical Chemistry A 126 (11), 1789-1804, 2022 | 10 | 2022 |
| Predicting Excited-State and Luminescence Properties of a Cyclometalated Iridium (III) Complex: Quantum Mechanics/Molecular Mechanics Study YJ Gao, TT Zhang, WK Chen The Journal of Physical Chemistry C 125 (10), 5670-5677, 2021 | 10 | 2021 |
