Wenjian Liu

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 33

Top Topics

Electron Transfer

Density Functional Theory

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

Journal of computational chemistry

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

Publications

Zhilei Wang, Chenyu Wu, Wenjian Liu
Toward the Rational Design of Organic Catalysts for Organocatalysed Atom Transfer Radical Polymerisation. Polymers 16 (3) (2024)
Xin He, Meng Li, Chunying Rong, Dongbo Zhao, Wenjian Liu, Paul W Ayers, Shubin Liu
Some Recent Advances in Density-Based Reactivity Theory. The journal of physical chemistry. A (2024)
Zhilei Wang, Zipeng Zhang, Chenyu Wu, Zikuan Wang, Wenjian Liu
Pushing the Limit of Photo-Controlled Polymerization: Hyperchromic and Bathochromic Effects. Molecules (Basel, Switzerland) 29 (10) (2024)
Ru Wang, Xiaojun Ji, Hao Wang, Wenjian Liu
Kinetic Network in Milestoning: Clustering, Reduction, and Transition Path Analysis. Journal of chemical theory and computation 20 (13) (2024)
Xin He, Tian Lu, Chunying Rong, Wenjian Liu, Paul W Ayers, Shubin Liu
Energetic Information from Information-Theoretic Approach in Density Functional Theory as Quantitative Measures of Physicochemical Properties. Journal of chemical theory and computation 20 (14) (2024)
Zhilei Wang, Chenyu Wu, Wenjian Liu
Toward the Rational Design of Organic Catalysts for Organocatalysed Atom Transfer Radical Polymerisation. Polymers 16 (3) (2024)
Xin He, Meng Li, Chunying Rong, Dongbo Zhao, Wenjian Liu, Paul W Ayers, Shubin Liu
Some Recent Advances in Density-Based Reactivity Theory. The journal of physical chemistry. A 128 (7) (2024)
Ru Wang, Xiaojun Ji, Hao Wang, Wenjian Liu
Kinetic Network in Milestoning: Clustering, Reduction, and Transition Path Analysis. Journal of chemical theory and computation (2024)
Xin He, Tian Lu, Chunying Rong, Wenjian Liu, Paul W Ayers, Shubin Liu
Energetic Information from Information-Theoretic Approach in Density Functional Theory as Quantitative Measures of Physicochemical Properties. Journal of chemical theory and computation (2024)
Zhilei Wang, Zipeng Zhang, Chenyu Wu, Zikuan Wang, Wenjian Liu
Pushing the Limit of Photo-Controlled Polymerization: Hyperchromic and Bathochromic Effects. Molecules (Basel, Switzerland) 29 (10) (2024)
Yang Guo, Ning Zhang, Wenjian Liu
SOiCISCF: Combining SOiCI and iCISCF for Variational Treatment of Spin-Orbit Coupling. Journal of chemical theory and computation (2023)
Yang Guo, Ning Zhang, Wenjian Liu
Correction to SOiCISCF: Combining SOiCI and iCISCF for Variational Treatment of Spin-Orbit Coupling. Journal of chemical theory and computation (2023)
Yang Guo, Ning Zhang, Wenjian Liu
Correction to SOiCISCF: Combining SOiCI and iCISCF for Variational Treatment of Spin-Orbit Coupling. Journal of chemical theory and computation 20 (2) (2023)
Ru Wang, Hao Wang, Wenjian Liu, Ron Elber
Approximating First Hitting Point Distribution in Milestoning for Rare Event Kinetics. Journal of chemical theory and computation (2023)
Jun Li, Chenyu Wu, Yibo Lei, Wenjian Liu
Tuning Catalyst-Free Photocontrolled Polymerization by Substitution: A Quantitative and Qualitative Interpretation. The journal of physical chemistry letters 13 (14) (2022)
Chenyu Wu, Nathaniel Corrigan, Chern-Hooi Lim, Wenjian Liu, Garret M Miyake, Cyrille A Boyer
Rational Design of Photocatalysts for Controlled Polymerization: Effect of Structures on Photocatalytic Activities. Chemical reviews 122 (6) (2022)
Ning Zhang, Yunlong Xiao, Wenjian Liu
SOiCI and iCISO: combining iterative configuration interaction with spin-orbit coupling in two ways. Journal of physics. Condensed matter : an Institute of Physics journal 34 (22) (2022)
Ning Zhang, Wenjian Liu, Mark R Hoffmann
Further Development of iCIPT2 for Strongly Correlated Electrons. Journal of chemical theory and computation 17 (2) (2021)
Yibo Lei, BingBing Suo, Wenjian Liu
iCAS: Imposed Automatic Selection and Localization of Complete Active Spaces. Journal of chemical theory and computation 17 (8) (2021)
Yang Guo, Ning Zhang, Yibo Lei, Wenjian Liu
iCISCF: An Iterative Configuration Interaction-Based Multiconfigurational Self-Consistent Field Theory for Large Active Spaces. Journal of chemical theory and computation (2021)
Yangyang Song, Yang Guo, Yibo Lei, Ning Zhang, Wenjian Liu
The Static-Dynamic-Static Family of Methods for Strongly Correlated Electrons: Methodology and Benchmarking. Topics in current chemistry (Cham) 379 (6) (2021)
Zikuan Wang, Chenyu Wu, Wenjian Liu
NAC-TDDFT: Time-Dependent Density Functional Theory for Nonadiabatic Couplings. Accounts of chemical research 54 (17) (2021)
Zikuan Wang, Wenjian Liu
iOI: An Iterative Orbital Interaction Approach for Solving the Self-Consistent Field Problem. Journal of chemical theory and computation 17 (8) (2021)
Chenyu Wu, Kenward Jung, Yongtao Ma, Wenjian Liu, Cyrille A Boyer
Unravelling an oxygen-mediated reductive quenching pathway for photopolymerisation under long wavelengths. Nature communications 12 (1) (2021)
Ruoqi Zhao, Adam Grofe, Zikuan Wang, Peng Bao, Xin Chen, Wenjian Liu, Jiali Gao
Dynamic-then-Static Approach for Core Excitations of Open-Shell Molecules. The journal of physical chemistry letters 12 (31) (2021)
Wenli Zou, Guina Guo, BingBing Suo, Wenjian Liu
Analytic Energy Gradients and Hessians of Exact Two-Component Relativistic Methods: Efficient Implementation and Extensive Applications. Journal of chemical theory and computation 16 (3) (2020)
Ning Zhang, Wenjian Liu, Mark R Hoffmann
Iterative Configuration Interaction with Selection. Journal of chemical theory and computation 16 (4) (2020)
Janus J Eriksen, Tyler A Anderson, J Emiliano Deustua, Khaldoon Ghanem, Diptarka Hait, Mark R Hoffmann, Seunghoon Lee, Daniel S Levine, Ilias Magoulas, Jun Shen, Norman M Tubman, K Birgitta Whaley, Enhua Xu, Yuan Yao, Ning Zhang, Ali Alavi, Garnet Kin-Lic Chan, Martin Head-Gordon, Wenjian Liu, Piotr Piecuch, Sandeep Sharma, Seiichiro L Ten-No, C J Umrigar, Jürgen Gauss
The Ground State Electronic Energy of Benzene. The journal of physical chemistry letters 11 (20) (2020)
Chenyu Wu, Hengqi Chen, Nathaniel Corrigan, Kenward Jung, Xiaonan Kan, Zhibo Li, Wenjian Liu, Jiangtao Xu, Cyrille A Boyer
Computer-Guided Discovery of a pH-Responsive Organic Photocatalyst and Application for pH and Light Dual-Gated Polymerization. Journal of the American Chemical Society 141 (20) (2019)
Chao Huang, Wenjian Liu
iVI-TD-DFT: An iterative vector interaction method for exterior/interior roots of TD-DFT. Journal of computational chemistry 40 (9) (2018)
Hongyang Li, Wenjian Liu, Bingbing Suo
Localization of open-shell molecular orbitals via least change from fragments to molecule. The Journal of chemical physics 146 (10) (2018)
Chao Huang, Wenjian Liu, Yunlong Xiao, Mark R Hoffmann
Erratum: "iVI: An iterative vector interaction method for large eigenvalue problems" [J. Comput. Chem. 38, 2481 (2017)]. Journal of computational chemistry 39 (6) (2017)
Chao Huang, Wenjian Liu, Yunlong Xiao, Mark R Hoffmann
iVI: An iterative vector interaction method for large eigenvalue problems. Journal of computational chemistry 38 (29) (2017)