李仁忠｜西安工程大学｜学者主页

2026

Competitive Coordination and Structural Evolution of Phenylalanine–Mg 2+ Complexes in Microaqueous Environments: Insights from DFT and Molecular Dynamics Simulations

Ze-Run Wang, Guang-Hong Jiang, Ren-Zhong Li

The Journal of Physical Chemistry B

DOI

2026

Unveiling the electronic structure and chemical bonding of the deprotonated cisplatin anion [(NH3)(NH2)PtCl2]− via low-temperature photoelectron spectroscopy and theoretical calculations

Guang-Hong Jiang, Yuyang Bai, Zi Yang, Xue‐Bin Wang, Ren-Zhong Li

Journal of Molecular Structure

DOI

2026

Unveiling structures and bonding mechanisms in deprotonated methionine dipeptide anions: Insights from photoelectron spectroscopy and theoretical investigation

Yi-Jia Wang, Wan-Hui Huang, Ren-Zhong Li, Hong‐Guang Xu, Wei‐Jun Zheng

The Journal of Chemical Physics

DOI

2026

Molecular mechanism underlying the synergistic interaction between amino acid ionic liquid (C2mim][Gly] and cosolvents in cellulose dissolution

Zhe-Kui Zhang, Lei Hua, Ren-Zhong Li

Biomass and Bioenergy

DOI

2026

Hydration induced coordination transition and interaction mechanism of Na + with adenine deoxyribonucleotide in microhydrated clusters

Fan Xue, Lei Hu, Yuanjun Che, Zheng-Long Gong, Ren-Zhong Li

Physical Chemistry Chemical Physics

DOI

2025

课程思政背景下的“材料化学”课程改革

惠昱晨，李仁忠，穆瑞花，常微

《教育教学论坛》

DOI

2025

理论研究IIB族金属二氢化物分子的基态性质

张志鹏，杨培龙，涂喆研，李仁忠

《原子与分子物理学报》

DOI

2025

Superwettable Carbon Fiber Membranes Functionalized with Cu-TiO2: High-Performance Oil–Water Separation and Sustainable Reusability

Yuqiang Chen, Yuqiang Chen, Yang Chen, Yang Chen, Xiaojun Li, Ren-Zhong Li, Gege Lei, Ziyang Jia, Dongjie Liu, Zongfan Duan

Coatings

DOI

2025

Cs+–Glycine interactions: Effects of progressive hydration (n = 0–8) on neutral and zwitterionic forms

Ze-Run Wang, Yuan-Yi Li, Ren-Zhong Li

Chemical Physics Letters

DOI

2025

Structures and proton transfer processes of methionine effected by heavy metal cations (Pb2+, Hg2+, and As3+) in the gas phase and aqueous solution

Yijia Wang, Lei Hu, Lei Hua, Ren-Zhong Li, Hong‐Guang Xu, Wei‐Jun Zheng

Computational and Theoretical Chemistry

DOI

2024

基于化工实验大赛推动学生的能力素质培养与课程的教学改革

赵亚梅，车远军，李仁忠，赵婧，贺亚妮，穆瑞花

《化工设计通讯》

2024

Effect of temperature on the physicochemical properties and solute–solvent interactions of a dilute solution of [Bmim][OAc] in DMSO

Tiantian Ma, Haiyun Hou, Mengjiao Zhang, Ren-Zhong Li, Junru Wang, Yanping Du, Songtao Liu

Journal of Molecular Liquids

DOI

2024

Hydrated Magnesium Ion–Uracil and Magnesium Chloride–Uracil Clusters Revealed by Ab Initio Study

Lei Hu, Xiaoyang Xu, Ren-Zhong Li

Biochemistry

DOI

2024

Molecular dynamics study on effects of the synergistic effect of anions and cations on the dissolution of cellulose in ionic liquids

Lei Hua, Ren-Zhong Li, Rui-Hua Mu, Haiyun Hou, Tian-Tian Ma

Journal of Molecular Liquids

DOI

2024

Ion specificity on cysteine tripeptides in aqueous environments revealed by molecular simulation

Yuan-Yi Li, Yuan-Yi Li, Ze-Run Wang, Liang Lu, Yi-Jia Wang, Haiyun Hou, Ren-Zhong Li

Journal of Molecular Liquids

DOI

2024

Volumetric and Viscosity Properties for the Dilute Solution of [Bmim][OAc] in NMP and the Solute–Solvent Interaction from 288.15 to 318.15 K

Hongtao Wang, Haiyun Hou, Mengjiao Zhang, Junru Wang, Zhichao Xu, Ren-Zhong Li, Songtao Liu

Journal of Solution Chemistry

DOI

2024

Stabilizing the zwitterionic form of cysteine under the cooperation of cation (Li+)-anion (I−) and water

Ren-Zhong Li, Yuan-Yi Li, Liang Lu, Xinyu Wang, Guang-Hong Jiang, Haiyun Hou

Chemical Physics Letters

DOI

2023

Interactions of adenine–thymine base pair with potassium cation and water clusters

Xinyu Wang, Ren-Zhong Li, Yuan-Yi Li

Computational and Theoretical Chemistry

DOI

2023

Interaction of glycine with Li+ in the (H2O)n (n = 0–8) clusters

Yuan-Yi Li, Ren-Zhong Li, Xinyu Wang

Journal of Molecular Modeling

DOI

2023

Alkyl-chain length effect on physicochemical properties and molecular interactions for binary mixtures of N-ethylimidazole with n-alcohols at 298.15 K

Junru Wang, Haiyun Hou, Hongtao Wang, Wangjie Dang, Xin Zhang, Ren-Zhong Li, Songtao Liu

The Journal of Chemical Thermodynamics

DOI

2023

A Tb 3+ -anchored Zr( iv )-bipyridine MOF to promote photo-induced electron transfer and simultaneously enhance photoluminescence ability and photocatalytic reduction efficiency towards Cr 2 O 7 2−

Qing Li, Zhiqiang Wu, Dan Li, Tianhui Liu, Huan-Yu Yin, Xin-Bin Cai, Wei Zhu, Zeng‐Lu Fan, Ren-Zhong Li

Journal of Materials Chemistry A

DOI

2022

LiI-水-尿嘧啶复合物阴离子的几何结构和电子能级研究

李仁忠，徐晓阳，黄健

《西安工程大学学报》

2022

High proton conductivity modulated by active protons in 1D ultra-stable metal–organic coordination polymers: a new insight into the coordination interaction/ability of metal ions

Xiaoqiang Liang, Sen Wang, Siqing Zhang, Chenyang Lin, Fengxia Xie, Ren-Zhong Li, Feng Zhang, Wen Chen, Lei Feng, Chengan Wan

Inorganic Chemistry Frontiers

DOI

2022

Density functional theory study of the reaction between VO− and water

Yu Cheng, Ren-Zhong Li, Xiaoyang Xu, Liang Lu

Chemical Physics Letters

DOI

2022

Interaction of Uracil with LiF and Water Studied by Density Functional Theory Study on Anionic Complexes

Xiaoyang Xu, Ren-Zhong Li, Liang Lu, Yu Cheng

Journal of Cluster Science

DOI

2022

Interaction of Cysteine with Li+ and LiF in the Presence of (H2O) n ( n = 0–6) Clusters

Liang Lu, Ren-Zhong Li, Xiaoyang Xu

ACS Omega

DOI

2022

Ab initio study of hydrated cesium iodide dimer (CsI)2−/0(H2O)0–6 and the cation size effect on (MI)2−/0(H2O)0–6 (M = Li, Na, K, Cs)

Liang Lu, Ren-Zhong Li, Xiaoyang Xu, Yu Cheng

Journal of Molecular Modeling

DOI

2021

计算化学在化学类课程教学中应用的探索

李仁忠，徐晓阳，赵亚梅

《山东化工》

DOI

2019

Photoelectron spectroscopy of [Mo6X14]2− dianions (X = Cl–I)

Ren-Zhong Li, Qinqin Yuan, Zheng Yang, Edoardo Aprà, Zhipeng Li, Vladimir A. Azov, Kaplan Kirakci, Jonas Warneke, Xue‐Bin Wang

The Journal of Chemical Physics

DOI

2019

Design and Prediction of a Novel Two-Dimensional Carbon Nanostructure with In-Plane Negative Poisson’s Ratio

Kun Yuan, Mengyang Li, Yanzhi Liu, Ren-Zhong Li

Journal of Nanomaterials

DOI

2018

Photoelectron spectroscopy of solvated dicarboxylate and alkali metal ion clusters, M + [O 2 C(CH 2 ) 2 CO 2 ] 2− [H 2 O] n (M = Na, K; n = 1–6)

Ren-Zhong Li, Shihu H. M. Deng, Gao‐Lei Hou, Marat Valiev, Xue‐Bin Wang

Physical Chemistry Chemical Physics

DOI

2017

Microsolvation of lithium iodide dimer studied by ab initio calculations

Ren-Zhong Li, Yangyang Liu, Man Gil Yang

Computational and Theoretical Chemistry

DOI

2016

Hydration of potassium iodide dimer studied by photoelectron spectroscopy and ab initio calculations

Ren-Zhong Li, Zhen Zeng, Gao‐Lei Hou, Hong‐Guang Xu, Xiang Zhao, Yi Qin Gao, Wei‐Jun Zheng

The Journal of Chemical Physics

DOI

2015

Initial hydration behavior of sodium iodide dimer: photoelectron spectroscopy and ab initio calculations

Ren-Zhong Li, Gao‐Lei Hou, Chengwen Liu, Hong‐Guang Xu, Xiang Zhao, Yi Qin Gao, Wei‐Jun Zheng

Physical Chemistry Chemical Physics

DOI

2013

Interaction of TiO2− with water: Photoelectron spectroscopy and density functional calculations

Ren-Zhong Li, Hong‐Guang Xu, Guo‐Jin Cao, Xi‐Ling Xu, Wei‐Jun Zheng

The Journal of Chemical Physics

DOI

李仁忠

精选作品

期刊论文

Competitive Coordination and Structural Evolution of Phenylalanine–Mg 2+ Complexes in Microaqueous Environments: Insights from DFT and Molecular Dynamics Simulations

Unveiling the electronic structure and chemical bonding of the deprotonated cisplatin anion [(NH3)(NH2)PtCl2]− via low-temperature photoelectron spectroscopy and theoretical calculations

Unveiling structures and bonding mechanisms in deprotonated methionine dipeptide anions: Insights from photoelectron spectroscopy and theoretical investigation

Molecular mechanism underlying the synergistic interaction between amino acid ionic liquid (C2mim][Gly] and cosolvents in cellulose dissolution

Hydration induced coordination transition and interaction mechanism of Na + with adenine deoxyribonucleotide in microhydrated clusters

课程思政背景下的“材料化学”课程改革

理论研究IIB族金属二氢化物分子的基态性质

Superwettable Carbon Fiber Membranes Functionalized with Cu-TiO2: High-Performance Oil–Water Separation and Sustainable Reusability

Cs+–Glycine interactions: Effects of progressive hydration (n = 0–8) on neutral and zwitterionic forms

Structures and proton transfer processes of methionine effected by heavy metal cations (Pb2+, Hg2+, and As3+) in the gas phase and aqueous solution

基于化工实验大赛推动学生的能力素质培养与课程的教学改革

Effect of temperature on the physicochemical properties and solute–solvent interactions of a dilute solution of [Bmim][OAc] in DMSO

Hydrated Magnesium Ion–Uracil and Magnesium Chloride–Uracil Clusters Revealed by Ab Initio Study

Molecular dynamics study on effects of the synergistic effect of anions and cations on the dissolution of cellulose in ionic liquids

Ion specificity on cysteine tripeptides in aqueous environments revealed by molecular simulation

Volumetric and Viscosity Properties for the Dilute Solution of [Bmim][OAc] in NMP and the Solute–Solvent Interaction from 288.15 to 318.15 K

Stabilizing the zwitterionic form of cysteine under the cooperation of cation (Li+)-anion (I−) and water

Interactions of adenine–thymine base pair with potassium cation and water clusters

Interaction of glycine with Li+ in the (H2O)n (n = 0–8) clusters

Alkyl-chain length effect on physicochemical properties and molecular interactions for binary mixtures of N-ethylimidazole with n-alcohols at 298.15 K

A Tb 3+ -anchored Zr( iv )-bipyridine MOF to promote photo-induced electron transfer and simultaneously enhance photoluminescence ability and photocatalytic reduction efficiency towards Cr 2 O 7 2−

LiI-水-尿嘧啶复合物阴离子的几何结构和电子能级研究

High proton conductivity modulated by active protons in 1D ultra-stable metal–organic coordination polymers: a new insight into the coordination interaction/ability of metal ions

Density functional theory study of the reaction between VO− and water

Interaction of Uracil with LiF and Water Studied by Density Functional Theory Study on Anionic Complexes

Interaction of Cysteine with Li+ and LiF in the Presence of (H2O) n ( n = 0–6) Clusters

Ab initio study of hydrated cesium iodide dimer (CsI)2−/0(H2O)0–6 and the cation size effect on (MI)2−/0(H2O)0–6 (M = Li, Na, K, Cs)

计算化学在化学类课程教学中应用的探索

Photoelectron spectroscopy of [Mo6X14]2− dianions (X = Cl–I)

Design and Prediction of a Novel Two-Dimensional Carbon Nanostructure with In-Plane Negative Poisson’s Ratio

Photoelectron spectroscopy of solvated dicarboxylate and alkali metal ion clusters, M + [O 2 C(CH 2 ) 2 CO 2 ] 2− [H 2 O] n (M = Na, K; n = 1–6)

Microsolvation of lithium iodide dimer studied by ab initio calculations

Hydration of potassium iodide dimer studied by photoelectron spectroscopy and ab initio calculations

Initial hydration behavior of sodium iodide dimer: photoelectron spectroscopy and ab initio calculations

Interaction of TiO2− with water: Photoelectron spectroscopy and density functional calculations