Hui Li

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 24

Top Venues

Physical chemistry chemical physics : PCCP

Journal of medicinal chemistry

The Journal of chemical physics

Journal of chemical theory and computation

Jilin University

Nanjing University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Jilin University Oct 1o 2010

China

Professor :: Institute of Theoretical Chemistry

Education History

Nanjing University Sep 1o 2002 - Jun 30o 2005

China

PHD :: Department of Chemistry

Publications

Yun-Li Zhang, Teng-Fei He, Zi-Kang Zhao, Ao Shen, Qiang Gao, Ai-Min Ren, Zhong-Min Su, Hui Li, Hui-Ying Chu, Lu-Yi Zou
Self-Consistent Quantum Mechanics/Embedded Charge Study on Aggregation-Enhanced Delayed Fluorescence of Cu(I) Complexes: Luminescence Mechanism and Molecular Design Strategy. Inorganic chemistry 62 (20) (2023)
Xue Wei, Wei-Bo Cui, Gui-Ya Qin, Xiu-E Zhang, Feng-Yi Sun, Hui Li, Jing-Fu Guo, Ai-Min Ren
Theoretical Investigation of Ru(II) Complexes with Long Lifetime and a Large Two-Photon Absorption Cross-Section in Photodynamic Therapy. Journal of medicinal chemistry (2023)
You Li, Yu Zhai, Hui Li
MLRNet: Combining the Physics-Motivated Potential Models with Neural Networks for Intermolecular Potential Energy Surface Construction. Journal of chemical theory and computation (2023)
Hui-Yuan Li, Gui-Ya Qin, Pan-Pan Lin, Xiao-Qi Sun, Jian-Xun Fan, Rui Wang, Hui Li, Lu-Yi Zou, Jing-Fu Guo, Ai-Min Ren
Theoretical study of the tuning role of β-methylthio or β-methylselenyl on the charge-transport properties of acenedithiophenes derivatives. Physical chemistry chemical physics : PCCP (2023)
Jitai Yang, Yang Cong, You Li, Hui Li
Machine Learning Approach Based on a Range-Corrected Deep Potential Model for Efficient Vibrational Frequency Computation. Journal of chemical theory and computation (2023)
Xiao-Long Zhang, Shu-Bin Yang, Dan Hou, Hui Li
An intramolecular vibrationally excited intermolecular potential energy surface and predicted 2OH overtone spectroscopy of H 2 O-Kr. Physical chemistry chemical physics : PCCP (2023)
Xue Wei, Wei-Bo Cui, Gui-Ya Qin, Xiu-E Zhang, Feng-Yi Sun, Hui Li, Jing-Fu Guo, Ai-Min Ren
Theoretical Investigation of Ru(II) Complexes with Long Lifetime and a Large Two-Photon Absorption Cross-Section in Photodynamic Therapy. Journal of medicinal chemistry 66 (6) (2023)
You Li, Yu Zhai, Hui Li
MLRNet: Combining the Physics-Motivated Potential Models with Neural Networks for Intermolecular Potential Energy Surface Construction. Journal of chemical theory and computation 19 (5) (2023)
Xue Wei, Wei-Bo Cui, Gui-Ya Qin, Xiu-E Zhang, Feng-Yi Sun, Hui Li, Jing-Fu Guo, Ai-Min Ren
Theoretical Investigation of Ru(II) Complexes with Long Lifetime and a Large Two-Photon Absorption Cross-Section in Photodynamic Therapy. Journal of medicinal chemistry 66 (6) (2023)
Liangyu Hu, Jitai Yang, Yu Zhai, Jing Yang, Hui Li
Charge fluctuation drives anion rotation to enhance the conductivity of Na 11 M 2 PS 12 (M = Si, Ge, Sn) superionic conductors. Physical chemistry chemical physics : PCCP (2023)
Liangyu Hu, Jitai Yang, Yu Zhai, Jing Yang, Hui Li
Charge fluctuation drives anion rotation to enhance the conductivity of Na 11 M 2 PS 12 (M = Si, Ge, Sn) superionic conductors. Physical chemistry chemical physics : PCCP 25 (11) (2023)
Wei-Bo Cui, Xue Wei, Jing-Fu Guo, Xue-Li Hao, Lu-Yi Zou, Song Wang, Hui Li, Zhong-Min Su, Ai-Min Ren
Molecular Design of Highly Efficient Heavy-Atom-free NpImidazole Derivatives for Two-Photon Photodynamic Therapy and ClO - Detection. Journal of chemical information and modeling (2023)
Xiao-Qi Sun, Gui-Ya Qin, Hui-Yuan Li, Heng-Yu Jin, Rui Wang, Hui Li, Ai-Min Ren, Jing-Fu Guo
Theoretical insight on the charge transport properties: The formation of "head-to-tail" and "head-to-head" stacking of asymmetric aryl anthracene derivatives. The Journal of chemical physics 158 (17) (2023)
Jiarui Li, Tao Zeng, Yu Zhai, Ze-Xing Qu, Hui Li
Intermolecular resonance energy transfer between two lutein pigments in light-harvesting complex II studied by frenkel exciton models. Physical chemistry chemical physics : PCCP (2023)
Yun-Li Zhang, Teng-Fei He, Zi-Kang Zhao, Ao Shen, Qiang Gao, Ai-Min Ren, Zhong-Min Su, Hui Li, Hui-Ying Chu, Lu-Yi Zou
Self-Consistent Quantum Mechanics/Embedded Charge Study on Aggregation-Enhanced Delayed Fluorescence of Cu(I) Complexes: Luminescence Mechanism and Molecular Design Strategy. Inorganic chemistry (2023)
Dan Hou, Yu Zhai, Ting-Ting Sun, Xiao-Long Zhang, Hui Li
Vibrationally excited intermolecular potential energy surfaces and the predicted near infrared overtone ( v OH = 2 ← 0) spectra of a H 2 O-Ne complex. Physical chemistry chemical physics : PCCP 24 (21) (2022)
Yang Cong, Yu Zhai, Xin Chen, Hui Li
The Accuracy of Semi-Empirical Quantum Chemistry Methods on Soot Formation Simulation. International journal of molecular sciences 23 (21) (2022)
Guiya Qin, Panpan Lin, Xiaoqi Sun, Jing-Fu Guo, Jianxun Fan, Lifei Ji, Hui Li, Ai-Min Ren
Theoretically seeking charge transport materials with inherent mobility higher than 2,6-diphenyl anthracene: three isomers of 2,6-dipyridyl anthracene. Physical chemistry chemical physics : PCCP (2022)
Yang Cong, Yu Zhai, Jitai Yang, Adam Grofe, Jiali Gao, Hui Li
Quantum vibration perturbation approach with polyatomic probe in simulating infrared spectra. Physical chemistry chemical physics : PCCP 24 (2) (2022)
Shanshan Xu, You Li, Donghan Wang, Chao Fang, Chengwei Luo, Jiankun Deng, LiHong Hu, Hui Li, Hongzhi Li
Efficient prediction for high precision CO-N2 potential energy surface by stacking ensemble DNN. Journal of computational chemistry (2021)
Zhizhen Zhang, Pierre-Nicholas Roy, Hui Li, Maxim Avdeev, Linda F Nazar
Coupled Cation-Anion Dynamics Enhances Cation Mobility in Room-Temperature Superionic Solid-State Electrolytes. Journal of the American Chemical Society 141 (49) (2019)
Xiao-Long Zhang, Yong-Tao Ma, Yu Zhai, Hui Li
Analytic Morse/long-range potential energy surfaces and "adiabatic-hindered-rotor" treatment for a symmetric top-linear molecule dimer: A case study of CH3F-H2. The Journal of chemical physics 148 (12) (2018)
Jing-Min Liu, Xiao-Long Zhang, Yu Zhai, Hui Li
Theoretical Study of Infrared Spectra of OCS-( pH2)2, OCS-( oD2)2, OCS-(HD)2, and Mixed OCS- pH2-He Trimers. The journal of physical chemistry. A 122 (11) (2018)
Jing-Min Liu, Yu Zhai, Hui Li
Explicit correlation treatment of the six-dimensional potential energy surface and predicted infrared spectra for OCS-H2. The Journal of chemical physics 147 (4) (2018)

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Publication Activity (10 Years)

Top Topics

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Hui Li