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Physical Chemistry Chemical Physics : PCCP
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June 16, 2020
Reactivities of singlet oxygen: open-shell or closed-shell?
Zexing Qu
Journal of Chemical Theory and Computation
|
July 17, 2020
Variational Multistate Density Functional Theory for a Balanced Treatment of Static and Dynamic Correlations
Zexing Qu, Yingjin Ma
The Journal of Chemical Physics
|
January 7, 2014
A non-adiabatic dynamics study of octatetraene: the radiationless conversion from S2 to S1
Zexing Qu, Chungen Liu
Molecules (Basel, Switzerland)
|
April 13, 2023
Benchmark Study on Phosphorescence Energies of Anthraquinone Compounds: Comparison between TDDFT and UDFT
Yujie Guo, Lingyu Zhang, Zexing Qu
The Journal of Chemical Physics
|
August 11, 2025
A direct diabatic states construction method with consistent orbitals for valence and Rydberg states
Jiamin Jin, Zexing Qu, Chungen Liu
The Journal of Physical Chemistry Letters
|
March 4, 2024
Diradical-Based Strategy in Designing Narrowband Thermally Activated Delayed Fluorescence Molecules with Tunable Emission Wavelengths
Shaoqin Zhang, Zhongjun Zhou, Zexing Qu
The Journal of Physical Chemistry. A
|
December 24, 2014
Photoisomerization of silyl-substituted cyclobutadiene induced by σ → π* excitation: a computational study
Zexing Qu, Chen Yang, Chungen Liu
Journal of Chemical Theory and Computation
|
August 27, 2020
Correction to Variational Multistate Density Functional Theory for a Balanced Treatment of Static and Dynamic Correlations
Zexing Qu, Yingjin Ma, Jiali Gao
Physical Chemistry Chemical Physics : PCCP
|
February 14, 2022
Lack of the ESIPT band of aromatic <i>ortho</i>-aminoaldehyde derivatives triggered by N-H vibration
Zhongjun Zhou, Jilong Zhang, Zexing Qu
The Journal of Physical Chemistry. A
|
June 28, 2022
Dearomatization of Benzenoid Arenes Triggered by Triplet Excited State Intramolecular Proton Transfer
Zhongjun Zhou, Jilong Zhang, Zexing Qu
Page
of 5
Search research articles
Search
Showing results (1-10 of 43) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
June 16, 2020
Reactivities of singlet oxygen: open-shell or closed-shell?
Zexing Qu
Journal of Chemical Theory and Computation
|
July 17, 2020
Variational Multistate Density Functional Theory for a Balanced Treatment of Static and Dynamic Correlations
Zexing Qu, Yingjin Ma
The Journal of Chemical Physics
|
January 7, 2014
A non-adiabatic dynamics study of octatetraene: the radiationless conversion from S2 to S1
Zexing Qu, Chungen Liu
Molecules (Basel, Switzerland)
|
April 13, 2023
Benchmark Study on Phosphorescence Energies of Anthraquinone Compounds: Comparison between TDDFT and UDFT
Yujie Guo, Lingyu Zhang, Zexing Qu
The Journal of Chemical Physics
|
August 11, 2025
A direct diabatic states construction method with consistent orbitals for valence and Rydberg states
Jiamin Jin, Zexing Qu, Chungen Liu
The Journal of Physical Chemistry Letters
|
March 4, 2024
Diradical-Based Strategy in Designing Narrowband Thermally Activated Delayed Fluorescence Molecules with Tunable Emission Wavelengths
Shaoqin Zhang, Zhongjun Zhou, Zexing Qu
The Journal of Physical Chemistry. A
|
December 24, 2014
Photoisomerization of silyl-substituted cyclobutadiene induced by σ → π* excitation: a computational study
Zexing Qu, Chen Yang, Chungen Liu
Journal of Chemical Theory and Computation
|
August 27, 2020
Correction to Variational Multistate Density Functional Theory for a Balanced Treatment of Static and Dynamic Correlations
Zexing Qu, Yingjin Ma, Jiali Gao
Physical Chemistry Chemical Physics : PCCP
|
February 14, 2022
Lack of the ESIPT band of aromatic <i>ortho</i>-aminoaldehyde derivatives triggered by N-H vibration
Zhongjun Zhou, Jilong Zhang, Zexing Qu
The Journal of Physical Chemistry. A
|
June 28, 2022
Dearomatization of Benzenoid Arenes Triggered by Triplet Excited State Intramolecular Proton Transfer
Zhongjun Zhou, Jilong Zhang, Zexing Qu
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of 5