Ziyi Liu

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 24

Top Topics

Crystal Structure

Molecular Dynamics

Top Venues

Inorganic chemistry

The journal of physical chemistry letters

Molecules (Basel, Switzerland)

The journal of physical chemistry. A

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

Publications

Xin Yan, Hui Jiang, Ziyi Liu, Dong-Qi Wang
Computational Comparative Study of the Binding of Americium with N-Donor Ligands. Inorganic chemistry (2024)
Ziyi Liu, An-Hui Lu, Dong-Qi Wang
Deep Potential Molecular Dynamics Study of Propane Oxidative Dehydrogenation. The journal of physical chemistry. A (2024)
Weixi Chen, Yuchen Liu, Ziyi Liu, Lihan Zhu, Dong-Qi Wang
In Situ Formation of B═O Bond in Oxidative Dehydrogenation of Propane and as a Hunter for Alkoxyl Radicals: A Computational Study. The journal of physical chemistry letters (2024)
Xin Yan, Hui Jiang, Ziyi Liu, Dong-Qi Wang
Computational Comparative Study of the Binding of Americium with N-Donor Ligands. Inorganic chemistry 63 (18) (2024)
Ziyi Liu, An-Hui Lu, Dong-Qi Wang
Deep Potential Molecular Dynamics Study of Propane Oxidative Dehydrogenation. The journal of physical chemistry. A 128 (9) (2024)
Junqing Li, Ziyi Liu, Zhehuan Zhao, Dong-Qi Wang
A Connected Convolutional Neutral Network Protocol for Design of Two-Dimensional Materials Based on Modified Graphdiyne. The journal of physical chemistry letters (2024)
Junqing Li, Ziyi Liu, Zhehuan Zhao, Dong-Qi Wang
A Connected Convolutional Neutral Network Protocol for Design of Two-Dimensional Materials Based on Modified Graphdiyne. The journal of physical chemistry letters 15 (31) (2024)
Ziyi Liu, Qin Wang, Zhifang Chai, Dong-Qi Wang
Recognition of Actinides by Siderocalin. Inorganic chemistry (2023)
Qin Wang, Ziyi Liu, Yu-Fei Song, Zhifang Chai, Dong-Qi Wang
Chelation Behaviors of 3,4,3-LI(1,2-HOPO) with Lanthanides and Actinides Implicated by Molecular Dynamics Simulations. Inorganic chemistry (2023)
Qin Wang, Ziyi Liu, Yu-Fei Song, Dongqi Wang
Recent Advances in the Study of Trivalent Lanthanides and Actinides by Phosphinic and Thiophosphinic Ligands in Condensed Phases. Molecules (Basel, Switzerland) 28 (17) (2023)
Qin Wang, Ziyi Liu, Yu-Fei Song, Zhifang Chai, Dong-Qi Wang
Chelation Behaviors of 3,4,3-LI(1,2-HOPO) with Lanthanides and Actinides Implicated by Molecular Dynamics Simulations. Inorganic chemistry 62 (10) (2023)
Ziyi Liu, Qin Wang, Zhifang Chai, Dong-Qi Wang
Recognition of Actinides by Siderocalin. Inorganic chemistry 63 (2) (2023)
Yuchen Liu, Ziyi Liu, Wen-Duo Lu, Dong-Qi Wang, An-Hui Lu
In Situ Generated Boron Peroxo as Mild Oxidant in Propane Oxidative Dehydrogenation Revealed by Density Functional Theory Study. The journal of physical chemistry letters 13 (50) (2022)
Hui Jiang, Ziyi Liu, Lei He, Zhifang Chai, Dong-Qi Wang
The Speciation of Americium Cations in Neat Water Implicated from DFT Studies. Inorganic chemistry 61 (35) (2022)
Qin Wang, Ziyi Liu, Yu-Fei Song, Dongqi Wang
Folding Dynamics of 3,4,3-LI(1,2-HOPO) in Its Free and Bound State with U 4+ Implicated by MD Simulations. Molecules (Basel, Switzerland) 27 (23) (2022)
Qin Wang, Ziyi Liu, Miaoren Xia, Yu-Fei Song, Zhifang Chai, Dong-Qi Wang
Biphasic Behaviors of Nd 3+ Bound with Cyanex272, Cyanex301, and Cyanex302: A Molecular Dynamics Simulation Study. Inorganic chemistry 61 (23) (2022)
Qin Wang, Ziyi Liu, Yu-Fei Song, Dongqi Wang
Folding Dynamics of 3,4,3-LI(1,2-HOPO) in Its Free and Bound State with U 4+ Implicated by MD Simulations. Molecules (Basel, Switzerland) 27 (23) (2022)
Qin Wang, Ziyi Liu, Yu-Fei Song, Dongqi Wang
Folding Dynamics of 3,4,3-LI(1,2-HOPO) in Its Free and Bound State with U 4+ Implicated by MD Simulations. Molecules (Basel, Switzerland) 27 (23) (2022)
Tu Lan, Peng Wu, Ziyi Liu, Martin Stroet, Jiali Liao, Zhifang Chai, Alan E Mark, Ning Liu, Dong-Qi Wang
Understanding the Effect of pH on the Solubility and Aggregation Extent of Humic Acid in Solution by Combining Simulation and the Experiment. Environmental science & technology 56 (2) (2022)
Yuchen Liu, Ziyi Liu, Wen-Duo Lu, Dong-Qi Wang, An-Hui Lu
In Situ Generated Boron Peroxo as Mild Oxidant in Propane Oxidative Dehydrogenation Revealed by Density Functional Theory Study. The journal of physical chemistry letters (2022)
Qin Wang, Ziyi Liu, Yu-Fei Song, Dongqi Wang
Folding Dynamics of 3,4,3-LI(1,2-HOPO) in Its Free and Bound State with U 4+ Implicated by MD Simulations. Molecules (Basel, Switzerland) 27 (23) (2022)
Ziyi Liu, Deting Xu, Miaoren Xia, Wen-Duo Lu, An-Hui Lu, Dong-Qi Wang
Understanding the Unique Antioxidation Property of Boron-Based Catalysts during Oxidative Dehydrogenation of Alkanes. The journal of physical chemistry letters 12 (36) (2021)
Ziyi Liu, Xu Ren, Rongri Tan, Zhifang Chai, Dongqi Wang
Key Factors Determining Efficiency of Liquid-Liquid Extraction: Implications from Molecular Dynamics Simulations of Biphasic Behaviors of CyMe4-BTPhen and Its Am(III) Complexes. The journal of physical chemistry. B 124 (9) (2020)
Ziyi Liu, Zhifang Chai, Dongqi Wang
The folding equilibria of enterobactin enantiomers and their interaction with actinides. Physical chemistry chemical physics : PCCP 21 (29) (2019)