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Yangyi Lu

Showing results (11-20 of 22) with videos related to

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Journal of Chemical Theory and Computation|February 17, 2026
Target State Optimization with Density Functional Theory for Computing K-Edge X-ray Absorption SpectraHong Zhu, Yangyi Lu, Jiali Gao, et al.
Journal of Chemical Theory and Computation|October 26, 2022
Minimal Active Space: NOSCF and NOSI in Multistate Density Functional TheoryYangyi Lu, Ruoqi Zhao, Jun Zhang, et al.
Advances in Quantum Chemistry|December 22, 2025
Multistate density functional theory for local and charge-transfer tripdoublet states from triplet-free radical interactionsChenyu Liu, Yang Xu, Peng Bao, et al.
The Journal of Physical Chemistry Letters|May 4, 2018
Short-Range Electron Transfer in Reduced Flavodoxin: Ultrafast Nonequilibrium Dynamics Coupled with Protein FluctuationsMainak Kundu, Ting-Fang He, Yangyi Lu, et al.
The Journal of Physical Chemistry Letters|April 4, 2022
Ultrafast Dynamics of Nonequilibrium Short-Range Electron Transfer in Semiquinone FlavodoxinJie Yang, Yifei Zhang, Yangyi Lu, et al.
The Journal of Physical Chemistry. A|September 28, 2023
Leveling the Mountain Range of Excited-State Benchmarking through Multistate Density Functional TheoryHong Zhu, Ruoqi Zhao, Yangyi Lu, et al.
Journal of Chemical Theory and Computation|March 14, 2023
Target State Optimized Density Functional Theory for Electronic Excited and Diabatic StatesJun Zhang, Zhen Tang, Xiaoyong Zhang, et al.
Physical Chemistry Chemical Physics : PCCP|December 10, 2021
Ultrafast nonequilibrium dynamics of short-range protein electron transfer in flavodoxinJie Yang, Yifei Zhang, Ting-Fang He, et al.
JACS Au|July 28, 2023
Multistate Energy Decomposition Analysis of Molecular Excited StatesChristian P Hettich, Xiaoyong Zhang, David Kemper, et al.
National Science Review|May 20, 2022
General synthesis of 2D rare-earth oxide single crystals with tailorable facetsLinyang Li, Fangyun Lu, Wenqi Xiong, et al.
Pageof 3

Showing results (11-20 of 22) with videos related to

Sort By:
Pageof 3
Journal of Chemical Theory and Computation|February 17, 2026
Target State Optimization with Density Functional Theory for Computing K-Edge X-ray Absorption SpectraHong Zhu, Yangyi Lu, Jiali Gao, et al.
Journal of Chemical Theory and Computation|October 26, 2022
Minimal Active Space: NOSCF and NOSI in Multistate Density Functional TheoryYangyi Lu, Ruoqi Zhao, Jun Zhang, et al.
Advances in Quantum Chemistry|December 22, 2025
Multistate density functional theory for local and charge-transfer tripdoublet states from triplet-free radical interactionsChenyu Liu, Yang Xu, Peng Bao, et al.
The Journal of Physical Chemistry Letters|May 4, 2018
Short-Range Electron Transfer in Reduced Flavodoxin: Ultrafast Nonequilibrium Dynamics Coupled with Protein FluctuationsMainak Kundu, Ting-Fang He, Yangyi Lu, et al.
The Journal of Physical Chemistry Letters|April 4, 2022
Ultrafast Dynamics of Nonequilibrium Short-Range Electron Transfer in Semiquinone FlavodoxinJie Yang, Yifei Zhang, Yangyi Lu, et al.
The Journal of Physical Chemistry. A|September 28, 2023
Leveling the Mountain Range of Excited-State Benchmarking through Multistate Density Functional TheoryHong Zhu, Ruoqi Zhao, Yangyi Lu, et al.
Journal of Chemical Theory and Computation|March 14, 2023
Target State Optimized Density Functional Theory for Electronic Excited and Diabatic StatesJun Zhang, Zhen Tang, Xiaoyong Zhang, et al.
Physical Chemistry Chemical Physics : PCCP|December 10, 2021
Ultrafast nonequilibrium dynamics of short-range protein electron transfer in flavodoxinJie Yang, Yifei Zhang, Ting-Fang He, et al.
JACS Au|July 28, 2023
Multistate Energy Decomposition Analysis of Molecular Excited StatesChristian P Hettich, Xiaoyong Zhang, David Kemper, et al.
National Science Review|May 20, 2022
General synthesis of 2D rare-earth oxide single crystals with tailorable facetsLinyang Li, Fangyun Lu, Wenqi Xiong, et al.
Pageof 3