郑文锐｜上海工程技术大学｜学者主页

2025

DFT study on Ni–C bond dissociation enthalpies of nickel-carbon complexes in photoredox/nickel dual catalysis C(sp2)-C(sp3) coupling reactions

Qianxi Zhang, Wenrui Zheng, Mengtong Shi, Hao Jin

Tetrahedron

DOI

2025

DFT Study on Mn-H Bond Dissociation Enthalpies of Manganese Hydrides in Manganese-Catalyzed Hydrogen Atom Transfer Reactions

Yan Que Yan Que, Wenrui Zheng, Chuang Wu, Shenghao Pan Shenghao Pan, Peilei Jiao

Journal of the chemical society of pakistan

DOI

2025

Mechanistic and Thermodynamic Studies on Copper-Catalyzed Directing Group-Assisted C-4/C-8 Amination of Aryl Amines with Cyclic Amines

Jinglei Cui, Wenrui Zheng, Qianxi Zhang, Hao Jin, Mengtong Shi

The Journal of Organic Chemistry

DOI

2024

Mechanistic and thermodynamic studies on directing group-assisted copper-catalyzed α-C(sp2)−H amination of aryl amines with alkylamines

Jinglei Cui, Wenrui Zheng, Peilei Jiao, Hao Jin

Journal of Organometallic Chemistry

DOI

2024

Theoretical Study on the P–C Bond Dissociation Enthalpy in 9,10-Dihydro-9-oxa-10-phosphaphenanthrene-10-oxide Flame Retardants

Peilei Jiao, Wenrui Zheng, Jinglei Cui, Qianxi Zhang, Hao Jin

The Journal of Physical Chemistry A

DOI

2023

水溶剂化效应对CL-20分子结构的影响

张艳琳，潘俊杰，曹明祥，徐晓飞，刘爽，郑文锐，孙成辉

《当代化工研究》

2023

DFT Study on Co–H Bond Dissociation Enthalpies of Cobalt Hydrides in Metal-Catalyzed Hydrogen Atom Transfer Reactions

Lufei Ren, Wenrui Zheng, Yaxin Yang, Xiaofei Xu, Peilei Jiao, Jinglei Cui

Russian Journal of Physical Chemistry A

DOI

2023

Theoretical study on the P–N bond dissociation enthalpy in phosphamide and phosphoramidate flame retardants

Peilei Jiao, Wenrui Zheng, Ziwen Guan, Lin He, Cuicui Zhang, Jiaying Tang

Journal of the Indian Chemical Society

DOI

2022

A quantum chemistry study on C–H homolytic bond dissociation enthalpies of five-membered and six-membered heterocyclic compounds

Yingning Liang, Wenrui Zheng, Hongyun Xie, Xinyan Zha, Ting Wang

Journal of the Indian Chemical Society

DOI

2022

Thermodynamic and Kinetic Studies on Copper-Catalyzed Cross-Dehydrogenative Couplings of N-Aryl Glycine Esters with Phenols

Xiaofei Xu, Wenrui Zheng, Lufei Ren, Peilei Jiao

Bulletin of the Chemical Society of Japan

DOI

2022

A theoretical study on the proton affinity of sulfur ylides

Yaxin Yang, Wenrui Zheng, Lufei Ren, Xiaofei Xu

New Journal of Chemistry

DOI

2021

Theoretical study on adiabatic electron affinity of fatty acids

Yaxin Yang, Wenrui Zheng, Hongyun Xie, Lufei Ren, Xiaofei Xu, Yingning Liang

New Journal of Chemistry

DOI

2020

DFT study on C-S bond dissociation enthalpies of thiol-derived peptide models

Hui‐Fang Chang, Wenrui Zheng, Danfeng Zhu, Hongyun Xie

Journal of Sulfur Chemistry

DOI

2020

A theoretical study on the p K a values of selenium compounds in aqueous solution

Danfeng Zhu, Wenrui Zheng, Hui‐Fang Chang, Hongyun Xie

New Journal of Chemistry

DOI

2019

Theoretical modeling of p K a 's of thiol compounds in aqueous solution

Yuanyuan Zheng, Wenrui Zheng, Danfeng Zhu, Hui‐Fang Chang

New Journal of Chemistry

DOI

2019

A theoretical study on one-electron redox potentials of organotrifluoroborate anions

Danfeng Zhu, Wenrui Zheng, Yuanyuan Zheng, Hui‐Fang Chang, Hongyun Xie

New Journal of Chemistry

DOI

2018

The DFT study on Rh–C bond dissociation enthalpies of (iminoacyl)rhodium(III)hydride and (iminoacyl)rhodium(III)alkyl

Hui‐Fang Chang, Wenrui Zheng, Yuanyuan Zheng, Danfeng Zhu, Jiaoyang Wang

Tetrahedron Letters

DOI

2018

Computational Study on N–N Homolytic Bond Dissociation Enthalpies of Hydrazine Derivatives

Yuanyuan Zheng, Wenrui Zheng, Jiaoyang Wang, Hui‐Fang Chang, Danfeng Zhu

The Journal of Physical Chemistry A

DOI

2017

Experimental and theoretical investigations of thermal degradation behaviors of poly(aryl ether sulfone)s

Xu Zhu, Wenrui Zheng, Xiaofeng Tang, Wenbin Zhang, Liusheng Zha

Journal of Sulfur Chemistry

DOI

2017

Theoretical study on homolytic B–B cleavages of diboron(4) compounds

Jiaoyang Wang, Wenrui Zheng, Yuanyuan Zheng

RSC Advances

DOI

2016

Computational study on C–B homolytic bond dissociation enthalpies of organoboron compounds

JiaoYang Wang, Wenrui Zheng, Lanlan Ding, Ying-Xing Wang

New Journal of Chemistry

DOI

2016

The C–H bond dissociation enthalpies in fused N-heterocyclic compounds

Ying-Xing Wang, Wenrui Zheng, Lanlan Ding

Russian Journal of Physical Chemistry A

DOI

2016

Computational study on alkenyl/aryl C(sp 2 )–O homolytic cleavage of carboxylates and carbamates

Wenrui Zheng, Lanlan Ding, Jiaoyang Wang, Yingxing Wang

RSC Advances

DOI

2015

碳硼键键离解能的理论计算

张杰，丁兰兰，陈莲晴，沈青，郑文锐

《上海工程技术大学学报》

2015

Homolytic C–O Cleavage in Phosphates and Sulfonates

Lanlan Ding, Wenrui Zheng, Yingxing Wang

The Journal of Physical Chemistry A

DOI

2015

A comparison of the C‒H bond dissociation enthalpies of sulfur-containing fused heterocyclic compounds to the C‒H bond dissociation enthalpies in other heterocycles

Ying-Xing Wang, Wenrui Zheng

Journal of Sulfur Chemistry

DOI

2015

Theoretical study on homolytic C(sp 2 )–O cleavage in ethers and phenols

Lanlan Ding, Wenrui Zheng, Yingxing Wang

New Journal of Chemistry

DOI

2015

A theoretical study on C–H bond dissociation enthalpies of oxygen-containing fused heterocyclic compounds

Ying-Xing Wang, Wen-Rui Zheng

Research on chemical intermediates (Print)

DOI

2014

CBS方法对单杂环体系C—H键解离焓的实验值评估

吴晨波，王颖星，郑文锐

《上海工程技术大学学报》

2013

C-I键均裂解离焓的密度泛函理论研究(英文)

郑文锐，陈之翀，徐吴瑕

Chinese Journal of Chemical Physics

2013

The theoretical assessment and prediction of CBr bond dissociation enthalpies

Wenrui Zheng, Wuxia Xu, Yingxing Wang, Zhichong Chen

Computational and Theoretical Chemistry

DOI

2012

S˭O homolytic bond dissociation enthalpies in sulfones: high-levelab initioand DFT study

Wenrui Zheng, Zhi-Chong Chen, Jingli Xu, Qi Yang, Tao Huang

Journal of Sulfur Chemistry

DOI

2012

Practical and Stereoselective Synthesis of β-Amino Sulfones from Alkyl Phenyl Sulfones and N-(tert-Butylsulfinyl) Aldimines.

Hua Zhang, Ya Li, Wei Xu, Wenrui Zheng, Pei Zhou, Zhi-Hua Sun

DOI

2011

P O bond dissociation enthalpies: High-level ab initio and DFT study

Wenrui Zheng, Jingli Xu, Tao Huang, Zhi-Chong Chen, Qi Yang

Computational and Theoretical Chemistry

DOI

2010

计算化学在化学化工中的应用(下)

郑文锐

《上海化工》

2010

N—O键解离焓的密度泛函理论研究

郑文锐，徐菁利，熊瑞

《物理化学学报》

2010

Density Functional Theory Study on N—O Bond Dissociation Enthalpies

Wen-Rui Zheng, Jing-Li Xu, Rui Xiong

DOI

2009

计算化学在化学化工中的应用(上)

郑文锐

《上海化工》

2008

烃类化合物碳氢键解离焓的密度泛函理论研究

郑文锐，傅尧，王华静，郭庆祥

《有机化学》

2007

尿素及硫脲与羰基化合物间的氢键相互作用

郑文锐，傅尧，刘磊，郭庆祥

《物理化学学报》

精选作品

期刊论文

DFT study on Ni–C bond dissociation enthalpies of nickel-carbon complexes in photoredox/nickel dual catalysis C(sp2)-C(sp3) coupling reactions

DFT Study on Mn-H Bond Dissociation Enthalpies of Manganese Hydrides in Manganese-Catalyzed Hydrogen Atom Transfer Reactions

Mechanistic and Thermodynamic Studies on Copper-Catalyzed Directing Group-Assisted C-4/C-8 Amination of Aryl Amines with Cyclic Amines

Mechanistic and thermodynamic studies on directing group-assisted copper-catalyzed α-C(sp2)−H amination of aryl amines with alkylamines

Theoretical Study on the P–C Bond Dissociation Enthalpy in 9,10-Dihydro-9-oxa-10-phosphaphenanthrene-10-oxide Flame Retardants

水溶剂化效应对CL-20分子结构的影响

DFT Study on Co–H Bond Dissociation Enthalpies of Cobalt Hydrides in Metal-Catalyzed Hydrogen Atom Transfer Reactions

Theoretical study on the P–N bond dissociation enthalpy in phosphamide and phosphoramidate flame retardants

A quantum chemistry study on C–H homolytic bond dissociation enthalpies of five-membered and six-membered heterocyclic compounds

Thermodynamic and Kinetic Studies on Copper-Catalyzed Cross-Dehydrogenative Couplings of N-Aryl Glycine Esters with Phenols

A theoretical study on the proton affinity of sulfur ylides

Theoretical study on adiabatic electron affinity of fatty acids

DFT study on C-S bond dissociation enthalpies of thiol-derived peptide models

A theoretical study on the p K a values of selenium compounds in aqueous solution

Theoretical modeling of p K a 's of thiol compounds in aqueous solution

A theoretical study on one-electron redox potentials of organotrifluoroborate anions

The DFT study on Rh–C bond dissociation enthalpies of (iminoacyl)rhodium(III)hydride and (iminoacyl)rhodium(III)alkyl

Computational Study on N–N Homolytic Bond Dissociation Enthalpies of Hydrazine Derivatives

Experimental and theoretical investigations of thermal degradation behaviors of poly(aryl ether sulfone)s

Theoretical study on homolytic B–B cleavages of diboron(4) compounds

Computational study on C–B homolytic bond dissociation enthalpies of organoboron compounds

The C–H bond dissociation enthalpies in fused N-heterocyclic compounds

Computational study on alkenyl/aryl C(sp 2 )–O homolytic cleavage of carboxylates and carbamates

碳硼键键离解能的理论计算

Homolytic C–O Cleavage in Phosphates and Sulfonates

A comparison of the C‒H bond dissociation enthalpies of sulfur-containing fused heterocyclic compounds to the C‒H bond dissociation enthalpies in other heterocycles

Theoretical study on homolytic C(sp 2 )–O cleavage in ethers and phenols

A theoretical study on C–H bond dissociation enthalpies of oxygen-containing fused heterocyclic compounds

CBS方法对单杂环体系C—H键解离焓的实验值评估

C-I键均裂解离焓的密度泛函理论研究(英文)

The theoretical assessment and prediction of CBr bond dissociation enthalpies

S˭O homolytic bond dissociation enthalpies in sulfones: high-levelab initioand DFT study

Practical and Stereoselective Synthesis of β-Amino Sulfones from Alkyl Phenyl Sulfones and N-(tert-Butylsulfinyl) Aldimines.

P O bond dissociation enthalpies: High-level ab initio and DFT study

计算化学在化学化工中的应用(下)

N—O键解离焓的密度泛函理论研究

Density Functional Theory Study on N—O Bond Dissociation Enthalpies

计算化学在化学化工中的应用(上)

烃类化合物碳氢键解离焓的密度泛函理论研究

尿素及硫脲与羰基化合物间的氢键相互作用

会议论文

DFT和PyGC/MS法研究聚亚苯基砜树脂的热降解机理

研究方向