Qi Ou
Qi Ou
AI for Science Institute, Beijing
E-mail megerősítve itt: bjaisi.com
Hivatkozott rá
Hivatkozott rá
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), 064114, 2015
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
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
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
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), 024114, 2014
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
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
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
Computational screen-out strategy for electrically pumped organic laser materials
Q Ou, Q Peng, Z Shuai
Nature Communications 11 (1), 4485, 2020
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
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
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
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
Communication: An inexpensive, variational, almost black-box, almost size-consistent correction to configuration interaction singles for valence excited states
X Liu, Q Ou, E Alguire, JE Subotnik
The Journal of Chemical Physics 138 (22), 221105, 2013
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
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
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), 064107, 2021
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
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
Molecular design strategy for simultaneously strong luminescence and high mobility: multichannel CH-π interaction
M Liu, Y Wei, Q Ou, P Yu, G Wang, Y Duan, H Geng, Q Peng, Z Shuai, ...
The Journal of Physical Chemistry Letters 12 (2), 938-946, 2021
A rendszer jelenleg nem tudja elvégezni a műveletet. Próbálkozzon újra később.
Cikkek 1–20