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Zexing Qu

Showing results (11-20 of 43) with videos related to

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Frontiers in Chemistry|September 26, 2018
Combined Multistate and Kohn-Sham Density Functional Theory Studies of the Elusive Mechanism of <i>N</i>-Dealkylation of <i>N,N</i>-Dimethylanilines Mediated by the Biomimetic Nonheme Oxidant Fe<sup>IV</sup>(O)(N4Py)(ClO<sub>4</sub>)<sub>2</sub>Lili Yang, Xin Chen, Zexing Qu, et al.
Journal of Chemical Theory and Computation|October 18, 2025
Machine Learning-Based Excited-State Reactive Force Field: A New Approach for Modeling the Photodissociation Dynamics of 2-FluorothiophenolXinyu Huang, Zhongjun Zhou, Huajie Song, et al.
Chemical Science|September 29, 2023
Mesomerism induced temperature-dependent multicomponent phosphorescence emissions in ClBDBTZexing Qu, Yujie Guo, Jilong Zhang, et al.
The Journal of Physical Chemistry. A|August 6, 2025
Triple-T Method for Modeling Plasma-Assisted Ignition with Rich Vibrationally Excited StatesYifan Qiu, Yifei Zhu, Zexing Qu, et al.
Physical Chemistry Chemical Physics : PCCP|June 6, 2022
Generation of singlet oxygen catalyzed by the room-temperature-stable anthraquinone anion radicalXiaowei Duan, Zhongjun Zhou, Xuri Huang, et al.
The Journal of Physical Chemistry. A|June 17, 2009
Open-shell ground state of polyacenes: a valence bond studyZexing Qu, Dawei Zhang, Chungen Liu, et al.
Journal of Computational Chemistry|May 6, 2020
A self-consistent coulomb bath model using density fittingXin Chen, Zexing Qu, Bingbing Suo, et al.
The Journal of Chemical Physics|January 19, 2011
Excitation energy calculation of conjugated hydrocarbons: a new Pariser-Parr-Pople model parameterization approaching CASPT2 accuracyDawei Zhang, Zexing Qu, Chungen Liu, et al.
The Journal of Physical Chemistry Letters|August 12, 2024
Many-Body Expansion-Based Quantum Mechanical Force Field for Cyclotrimethylene Trinitramine under High PressureShuai Guan, Huajie Song, Zhongjun Zhou, et al.
The Journal of Chemical Physics|January 19, 2011
Communication: A dramatic transition from nonferromagnet to ferromagnet in finite fused-azulene chainZexing Qu, Shushu Zhang, Chungen Liu, et al.
Pageof 5

Showing results (11-20 of 43) with videos related to

Sort By:
Pageof 5
Frontiers in Chemistry|September 26, 2018
Combined Multistate and Kohn-Sham Density Functional Theory Studies of the Elusive Mechanism of <i>N</i>-Dealkylation of <i>N,N</i>-Dimethylanilines Mediated by the Biomimetic Nonheme Oxidant Fe<sup>IV</sup>(O)(N4Py)(ClO<sub>4</sub>)<sub>2</sub>Lili Yang, Xin Chen, Zexing Qu, et al.
Journal of Chemical Theory and Computation|October 18, 2025
Machine Learning-Based Excited-State Reactive Force Field: A New Approach for Modeling the Photodissociation Dynamics of 2-FluorothiophenolXinyu Huang, Zhongjun Zhou, Huajie Song, et al.
Chemical Science|September 29, 2023
Mesomerism induced temperature-dependent multicomponent phosphorescence emissions in ClBDBTZexing Qu, Yujie Guo, Jilong Zhang, et al.
The Journal of Physical Chemistry. A|August 6, 2025
Triple-T Method for Modeling Plasma-Assisted Ignition with Rich Vibrationally Excited StatesYifan Qiu, Yifei Zhu, Zexing Qu, et al.
Physical Chemistry Chemical Physics : PCCP|June 6, 2022
Generation of singlet oxygen catalyzed by the room-temperature-stable anthraquinone anion radicalXiaowei Duan, Zhongjun Zhou, Xuri Huang, et al.
The Journal of Physical Chemistry. A|June 17, 2009
Open-shell ground state of polyacenes: a valence bond studyZexing Qu, Dawei Zhang, Chungen Liu, et al.
Journal of Computational Chemistry|May 6, 2020
A self-consistent coulomb bath model using density fittingXin Chen, Zexing Qu, Bingbing Suo, et al.
The Journal of Chemical Physics|January 19, 2011
Excitation energy calculation of conjugated hydrocarbons: a new Pariser-Parr-Pople model parameterization approaching CASPT2 accuracyDawei Zhang, Zexing Qu, Chungen Liu, et al.
The Journal of Physical Chemistry Letters|August 12, 2024
Many-Body Expansion-Based Quantum Mechanical Force Field for Cyclotrimethylene Trinitramine under High PressureShuai Guan, Huajie Song, Zhongjun Zhou, et al.
The Journal of Chemical Physics|January 19, 2011
Communication: A dramatic transition from nonferromagnet to ferromagnet in finite fused-azulene chainZexing Qu, Shushu Zhang, Chungen Liu, et al.
Pageof 5