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Molecules (Basel, Switzerland)
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June 10, 2022
Minimal Active Space for Diradicals Using Multistate Density Functional Theory
Jingting Han, Ruoqi Zhao, Yujie Guo, et al.
Inorganic Chemistry
|
December 9, 2025
The Mechanism of Photocatalytic C(sp<sup>3</sup>)-H Activation by Decatungstate Anion: CPET or HAT?
Zhongjun Zhou, Qixuan Ye, Ronglin Zhong, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 4, 2023
Intermolecular resonance energy transfer between two lutein pigments in light-harvesting complex II studied by frenkel exciton models
Jiarui Li, Tao Zeng, Yu Zhai, et al.
The Journal of Chemical Physics
|
January 16, 2026
Theoretical investigation of the excited-state dynamics in the CH4 + O(3P) → CH3 + OH reaction
Haohan Xie, Zexing Qu, Huiling Liu, et al.
Chemical Science
|
November 2, 2022
A theoretical roadmap for the best oxygen reduction activity in two-dimensional transition metal tellurides
Xin Yang, Hanyu Liu, Zexing Qu, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 14, 2023
Energy transfer from two luteins to chlorophylls in light-harvesting complex II study by using exciton models with phase correction
Jiarui Li, Tao Zeng, Zexing Qu, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 16, 2023
Controlling the repair mechanisms of oxetanes through functional group substitution
Yan Shen, Shaoqin Zhang, Yingli Su, et al.
Journal of Chemical Theory and Computation
|
January 31, 2017
Diabatic-At-Construction Method for Diabatic and Adiabatic Ground and Excited States Based on Multistate Density Functional Theory
Adam Grofe, Zexing Qu, Donald G Truhlar, et al.
The Journal of Physical Chemistry Letters
|
June 2, 2016
Multistate Density Functional Theory for Effective Diabatic Electronic Coupling
Haisheng Ren, Makenzie R Provorse, Peng Bao, et al.
JACS Au
|
November 28, 2025
Machine Learned Fock Matrix
Hongcai Liu, Shuai Guan, Zhuofan Wang, et al.
Page
of 5
Search research articles
Search
Showing results (21-30 of 43) with videos related to
Sort By:
Page
of 5
Molecules (Basel, Switzerland)
|
June 10, 2022
Minimal Active Space for Diradicals Using Multistate Density Functional Theory
Jingting Han, Ruoqi Zhao, Yujie Guo, et al.
Inorganic Chemistry
|
December 9, 2025
The Mechanism of Photocatalytic C(sp<sup>3</sup>)-H Activation by Decatungstate Anion: CPET or HAT?
Zhongjun Zhou, Qixuan Ye, Ronglin Zhong, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 4, 2023
Intermolecular resonance energy transfer between two lutein pigments in light-harvesting complex II studied by frenkel exciton models
Jiarui Li, Tao Zeng, Yu Zhai, et al.
The Journal of Chemical Physics
|
January 16, 2026
Theoretical investigation of the excited-state dynamics in the CH4 + O(3P) → CH3 + OH reaction
Haohan Xie, Zexing Qu, Huiling Liu, et al.
Chemical Science
|
November 2, 2022
A theoretical roadmap for the best oxygen reduction activity in two-dimensional transition metal tellurides
Xin Yang, Hanyu Liu, Zexing Qu, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 14, 2023
Energy transfer from two luteins to chlorophylls in light-harvesting complex II study by using exciton models with phase correction
Jiarui Li, Tao Zeng, Zexing Qu, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 16, 2023
Controlling the repair mechanisms of oxetanes through functional group substitution
Yan Shen, Shaoqin Zhang, Yingli Su, et al.
Journal of Chemical Theory and Computation
|
January 31, 2017
Diabatic-At-Construction Method for Diabatic and Adiabatic Ground and Excited States Based on Multistate Density Functional Theory
Adam Grofe, Zexing Qu, Donald G Truhlar, et al.
The Journal of Physical Chemistry Letters
|
June 2, 2016
Multistate Density Functional Theory for Effective Diabatic Electronic Coupling
Haisheng Ren, Makenzie R Provorse, Peng Bao, et al.
JACS Au
|
November 28, 2025
Machine Learned Fock Matrix
Hongcai Liu, Shuai Guan, Zhuofan Wang, et al.
Page
of 5