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The Journal of Physical Chemistry. A
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March 12, 2014
Energy decomposition scheme based on the generalized Kohn-Sham scheme
Peifeng Su, Zhen Jiang, Zuochang Chen, et al.
The Journal of Chemical Physics
|
May 15, 2024
Energy decomposition analysis method using density matrix formulation
Yueyang Zhang, Longxiang Yan, Wei Wu, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 29, 2022
Exploring the nature of electron-pair bonds: an energy decomposition analysis perspective
Yang Zhang, Xun Wu, Peifeng Su, et al.
The Journal of Chemical Physics
|
November 4, 2025
Block tensor decomposition: A dual-grid scheme with a formal O(N3) scale for THC decomposition of molecular systems
Yueyang Zhang, Xuewei Xiong, Wei Wu, et al.
The Journal of Physical Chemistry. A
|
April 30, 2024
QM/MM-Based Energy Decomposition Analysis Method for Large Systems
Xuewei Xiong, Ran Friedman, Wei Wu, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 30, 2023
Energy decomposition analysis methods for intermolecular interactions with excited states
Zhen Tang, Boxiao Shao, Wei Wu, et al.
The Journal of Chemical Physics
|
July 9, 2021
Understanding intermolecular interactions of large systems in ground state and excited state by using density functional based tight binding methods
Yuan Xu, Ran Friedman, Wei Wu, et al.
The Journal of Chemical Physics
|
April 1, 2023
Assessments of DFT-based energy decomposition analysis methods for intermolecular interactions
Yuan Xu, Shu Zhang, Wei Wu, et al.
The Journal of Chemical Physics
|
March 24, 2025
Energy decomposition analysis method with the DFT-in-xTB embedding strategy for intermolecular interactions in large systems
Xuewei Xiong, Yueyang Zhang, Wei Wu, et al.
The Journal of Physical Chemistry. A
|
January 27, 2012
VBEFP: a valence bond approach that incorporates effective fragment potential method
Fuming Ying, Xin Chang, Peifeng Su, et al.
Page
of 7
Search research articles
Search
Showing results (11-20 of 69) with videos related to
Sort By:
Page
of 7
The Journal of Physical Chemistry. A
|
March 12, 2014
Energy decomposition scheme based on the generalized Kohn-Sham scheme
Peifeng Su, Zhen Jiang, Zuochang Chen, et al.
The Journal of Chemical Physics
|
May 15, 2024
Energy decomposition analysis method using density matrix formulation
Yueyang Zhang, Longxiang Yan, Wei Wu, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 29, 2022
Exploring the nature of electron-pair bonds: an energy decomposition analysis perspective
Yang Zhang, Xun Wu, Peifeng Su, et al.
The Journal of Chemical Physics
|
November 4, 2025
Block tensor decomposition: A dual-grid scheme with a formal O(N3) scale for THC decomposition of molecular systems
Yueyang Zhang, Xuewei Xiong, Wei Wu, et al.
The Journal of Physical Chemistry. A
|
April 30, 2024
QM/MM-Based Energy Decomposition Analysis Method for Large Systems
Xuewei Xiong, Ran Friedman, Wei Wu, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 30, 2023
Energy decomposition analysis methods for intermolecular interactions with excited states
Zhen Tang, Boxiao Shao, Wei Wu, et al.
The Journal of Chemical Physics
|
July 9, 2021
Understanding intermolecular interactions of large systems in ground state and excited state by using density functional based tight binding methods
Yuan Xu, Ran Friedman, Wei Wu, et al.
The Journal of Chemical Physics
|
April 1, 2023
Assessments of DFT-based energy decomposition analysis methods for intermolecular interactions
Yuan Xu, Shu Zhang, Wei Wu, et al.
The Journal of Chemical Physics
|
March 24, 2025
Energy decomposition analysis method with the DFT-in-xTB embedding strategy for intermolecular interactions in large systems
Xuewei Xiong, Yueyang Zhang, Wei Wu, et al.
The Journal of Physical Chemistry. A
|
January 27, 2012
VBEFP: a valence bond approach that incorporates effective fragment potential method
Fuming Ying, Xin Chang, Peifeng Su, et al.
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of 7