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Materials Horizons|November 29, 2021
A computational scheme for evaluating the phosphorescence quantum efficiency: applied to blue-emitting tetradentate Pt(II) complexesYu Wang, Qian Peng, Zhigang ShuaiThe Journal of Physical Chemistry Letters|March 16, 2021
Aggregation-Enhanced Thermally Activated Delayed Fluorescence Efficiency for Two-Coordinate Carbene-Metal-Amide Complexes: A QM/MM StudyShiyun Lin, Qi Ou, Yu Wang, et al.Nature Communications|September 9, 2020
Computational screen-out strategy for electrically pumped organic laser materialsQi Ou, Qian Peng, Zhigang ShuaiThe Journal of Physical Chemistry Letters|August 14, 2020
Toward Quantitative Prediction of Fluorescence Quantum Efficiency by Combining Direct Vibrational Conversion and Surface Crossing: BODIPYs as an ExampleQi Ou, Qian Peng, Zhigang ShuaiAccounts of Chemical Research|December 21, 2020
Theory of Long-Lived Room-Temperature Phosphorescence in Organic AggregatesQian Peng, Huili Ma, Zhigang ShuaiChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 18, 2020
Computational Study on the Charge Transport and Optical Spectra of Anthracene Derivatives in AggregatesYajing Sun, Hua Geng, Qian Peng, et al.Journal of the American Chemical Society|July 12, 2007
Toward quantitative prediction of molecular fluorescence quantum efficiency: role of duschinsky rotationQian Peng, Yuanping Yi, Zhigang Shuai, et al.Accounts of Chemical Research|April 8, 2014
Computational evaluation of optoelectronic properties for organic/carbon materialsZhigang Shuai, Dong Wang, Qian Peng, et al.Inorganic Chemistry|October 15, 2019
Strong Solid-State Fluorescence Induced by Restriction of the Coordinate Bond Bending in Two-Coordinate Copper(I)-Carbene ComplexesShiyun Lin, Qian Peng, Qi Ou, et al.The Journal of Physical Chemistry. A|February 15, 2021
Theoretical Characterizations of TADF Materials: Roles of ΔG and the Singlet-Triplet Excited States InterconversionLu Wang, Qi Ou, Qian Peng, et al.Pageof 2,485