王渭娜｜陕西师范大学｜学者主页

2026

过渡金属/氧化物催化CO2加H2还原生成甲醇的甲酸盐与甲酰基路径的前线轨道对称性分析

王文亮，王渭娜，盛天，魏南，王素凡，周涛

《大学化学》

2025

几种光谱选择规律的证明与阐释

王文亮，王渭娜，冯丽霞，魏南，王素凡，盛天，周涛

《大学化学》

2025

“站得高、讲得透、看得远”是讲好课的基本功——以结构化学课堂教学为例

王文亮，王渭娜，王素凡，刘峰毅，盛天，周涛，魏南

《大学化学》

2025

计算化学实验助力有机反应机理学习——以HCl与不对称烯烃的亲电加成反应为例

王渭娜，冯丽霞，刘峰毅，王文亮

《大学化学》

2024

“抽取共性–讲透典型–衍生个性”，构建晶体结构知识点图谱

王渭娜，刘峰毅，王文亮

《大学化学》

2024

“薛定谔方程–近似模型–核心概念–简单应用”——构建原子/分子结构教学内容的逻辑框架与知识点图谱

王文亮，王渭娜，王素凡，盛天，周涛，魏南

《大学化学》

2024

问题链教学法在结构化学教学中的应用——共轭分子休克尔分子轨道法

王渭娜，刘峰毅，王文亮

《化学教育(中英文)》

2023

介绍一种关于四重映轴S4及四重反轴I4独立性的简洁推导

王渭娜，刘峰毅，王文亮

《大学化学》

2023

多参考态从头算方法在结构化学教学中的应用探索：以第二周期同核双原子分子为例

刘峰毅，钟怡，王渭娜，王文亮

《大学化学》

2023

Application of Multireference ab initio Calculation in Teaching of Structure and Bonding Nature of 2nd Row Diatomic Molecules

Feng-Yi Liu, Yi-fang Zhong, Weina Wang, Wen-Liang Wang

Daxue Huaxue

DOI

2022

结构化学课程教学中融入思政元素的探索

王渭娜，刘峰毅，王文亮

《大学化学》

2021

The catalytic effects of H2O , basic and acidic catalysts on the gas‐phase hydrolysis mechanism of carbonyl fluoride ( CF2O )

Yousong Lu, Tianlei Zhang, Makroni Lily, Weina Wang, Weina Wang, Fengyi Liu, Wenliang Wang, Wenliang Wang

International Journal of Quantum Chemistry

DOI

2020

Atmospheric implication of synergy in methanesulfonic acid–base trimers: a theoretical investigation

Dongping Chen, Weina Wang, Weina Wang, Danfeng Li, Wenliang Wang, Wenliang Wang

RSC Advances

DOI

2020

Atmospheric Chemistry of Enols: The Formation Mechanisms of Formic and Peroxyformic Acids in Ozonolysis of Vinyl Alcohol.

Xiaoyang Lei, Weina Wang, Jie Gao, Sai-Nan Wang, Wen-Liang Wang

Journal of Physical Chemistry A

DOI

2020

Theoretical reinvestigation of the ozonolysis mechanism of allyl alcohol

Xiaoyang Lei, Weina Wang, Wen-Liang Wang

DOI

2019

CH3SS与HO2自由基的气相反应机理

刘艳，卢彦霞，王渭娜

《陕西师范大学学报(自然科学版)》

DOI

2019

五环[5.4.0.02,6.03,10.05,9]十一烷及其衍生物结构和性能的理论预测

李彦军，王渭娜，吕剑，杜改

《化工新型材料》

2019

Reaction mechanism and kinetics of Criegee intermediate CH2OO with CH2 = C(CH3)CHO

Cai Jie, Yousong Lu, Weina Wang, Long Chen, Fengyi Liu, Wenliang Wang

Computational and Theoretical Chemistry

DOI

2019

Theoretical investigation on the ozonolysis mechanism of (E)-2-formylcinnamaldehyde in the atmosphere

Xiaoyang Lei, Yan Liu, Weina Wang, Wen-Liang Wang

Chemical Physics Letters

DOI

2019

Atmospheric Chemistry of Enols: Vinyl Alcohol + OH + O2 Reaction Revisited.

Xiaoyang Lei, Weina Wang, Jie Cai, Changwei Wang, Feng-Yi Liu, Wen-Liang Wang

Journal of Physical Chemistry A

DOI

2018

Criegee中间体RCHOO（R=H,CH3）与NO2反应机理及大气中HNO3的形成

周丽婷，雷小洋，王渭娜，陈东平，刘峰毅，王文亮

《高等学校化学学报》

2018

Quantum chemical studies of the OH-initiated oxidation reactions of propenols in the presence of O2

Xiaoyang Lei, Dong-Ping Chen, Weina Wang, Feng-Yi Liu, Wenliang Wang

Molecular Physics

DOI

2017

Criegee中间体RCHOO（R=H,CH3）与NCO的反应机理

马倩，王渭娜，赵强莉，刘峰毅，王文亮

《高等学校化学学报》

2017

Reactions between hydroxyl-substituted alkylperoxy radicals and Criegee intermediates: correlations of the electronic characteristics of methyl substituents and the reactivity

Qiangli Zhao, Fengyi Liu, Weina Wang, Weina Wang, Chunying Li, Jian Lü, Wenliang Wang, Wenliang Wang

Physical Chemistry Chemical Physics

DOI

2017

Oligomerization reactions for precursors to secondary organic aerosol: Comparison between two formation mechanisms for the oligomeric hydroxyalkyl hydroperoxides

Qiang-Li Zhao, Weina Wang, Feng-Yi Liu, Jian Lu, Wenliang Wang

DOI

2017

Computational study on mechanisms of C2H5O2+OH reaction and properties of C2H5O3H complex

Yanli Liu, Long Chen, Dong-Ping Chen, Weina Wang, Feng-Yi Liu, Wen-Liang Wang

Chemical Research in Chinese Universities

DOI

2016

Criegee中间体CH 3 CHOO与OH自由基反应机理的理论研究

Zhi-Fang Gao, Weina Wang, Qiang Ma, Feng-Yi Liu, Wen-Liang Wang

DOI

2016

Criegee中间体CH3CHOO与H2O反应机理及酸催化效应

高志芳，周丽婷，王渭娜，刘峰毅，王文亮

《物理化学学报》

2016

白皮杉醇甲氧基衍生物与OOH自由基的反应机理

王渭娜，王帅，王文亮

《陕西师范大学学报(自然科学版)》

2016

含氧有机小分子与氧化铈表面相互作用的第一性原理研究

王渭娜

《陕西师范大学》

2016

笼状化合物五环[5.3.0.02,5.03,9.04,8]十烷及其衍生物结构与性能的理论研究

李彦军，王渭娜，吕剑，张娇娇

《化工新型材料》

2016

Investigation of trimethylacetic acid adsorption on stoichiometric and oxygen-deficient CeO2(111) surfaces.

Shail P. Sanghavi, Weina Wang, M. Nandasiri, A. Karakoti, Wen-Liang Wang, Ping Yang, S. Thevuthasan

Physical Chemistry, Chemical Physics - PCCP

DOI

2016

CeO2(111)上へのトリメチル酢酸の吸着の理論的研究

Weina Wang, S. Thevuthasan, Wen-Liang Wang, Ping Yang

2016

CRIEGEE中間体CH_3CHOOとH_2Oの反応機構と酸触媒効果【JST・京大機械翻訳】

Zhi-Fang Gao, Li-Ting Zhou, Weina Wang, Feng-Yi Liu, Wen-Liang Wang

2016

Role of water clusters in the reaction of the simplest Criegee intermediate CH2OO with water vapour

Long Chen, Wen-Liang Wang, Liting Zhou, Weina Wang, Feng-Yi Liu, Chun-Ying Li, Jian Lu

Theoretical Chemistry accounts

DOI

2016

Water-catalyzed decomposition of the simplest Criegee intermediate CH2OO

Long Chen, Wen-Liang Wang, Weina Wang, Yanli Liu, Feng-Yi Liu, Ning Liu, Bo-Zhou Wang

Theoretical Chemistry accounts

DOI

2016

Theoretical Study of Trimethylacetic Acid Adsorption on CeO2(111) Surface

Weina Wang, S. Thevuthasan, Wen-Liang Wang, Ping Yang

DOI

2015

分子内C—H键胺化反应机理的DFT研究

沈文，王渭娜，靳玲侠，王文亮

Journal of Molecular Science

2015

白皮杉醇PIC与OH自由基反应机理的理论研究

王帅，王渭娜，高志芳，王文亮

《高等学校化学学报》

2015

Theoretical study on the thermal decomposition and isomerization of 3-Me-1-heptyl radical

Long Chen, Z. Gao, Weina Wang, Feng-Yi Liu, Jian Lu, Wen-Liang Wang

DOI

2015

Kinetic and mechanistic investigations of the thermal decomposition of methyl-substituted cycloalkyl radicals

Long Chen, Wen-Liang Wang, Weina Wang, Chun-Ying Li, Feng-Yi Liu, Jian Lu

DOI

2014

2-甲基噻吩与NO3反应机理的理论研究

陈龙，王渭娜，卢天宇，王文亮

《陕西师范大学学报(自然科学版)》

2014

CH3CH2O+HCHO反应机理及主通道速率常数

郭莎，王渭娜，靳玲侠，王帅，王文亮

《高等学校化学学报》

2014

Thermal decomposition and isomerization of 1-heptyl radical: a computational investigation

Long Chen, Weina Wang, Chun-Ying Li, Jian Lu, Wenliang Wang

Theoretical Chemistry accounts

DOI

2013

反式2-甲基-2-丁烯酸甲酯与臭氧反应机理的计算研究

张田雷，王渭娜，刘畅，吕娜，陈妙，郭莎，王文亮

《物理化学学报》

2013

HSO和OH的反应机理

曹佳，王渭娜，高楼军，付峰，侯向阳

《西北师范大学学报(自然科学版)》

2013

吸热型碳氢燃料正癸烷热裂解机理、热沉及产物分布的理论研究

李国娜，李春迎，王渭娜，沈文，吕剑，王文亮

《燃料化学学报(中英文)》

2013

HOS和OH反应机理的理论研究

曹佳，王渭娜，高楼军，付峰，侯向阳，王丹军，史丽娜

Journal of Molecular Science

2013

Theoretical kinetic investigation of thermal decomposition of methylcyclohexane

Long Chen, Tianlei Zhang, Chun-Ying Li, Weina Wang, Jian Lu, Wen-Liang Wang

DOI

2013

Dissociative Binding of Carboxylic Acid Ligand on Nanoceria Surface in Aqueous Solution: A Joint In Situ Spectroscopic Characterization and First-Principles Study

Zhou Lu, A. Karakoti, L. Velarde, Weina Wang, Ping Yang, S. Thevuthasan, Hong-Fei Wang

DOI

2012

C2H3与CH3F氢抽提反应机理与动力学性质

冯丽霞，靳玲侠，王渭娜，王文亮

《物理化学学报》

2012

Mechanism and Kinetics of the Hydrogen Abstraction Reaction of C 2 H 3 with CH 3 F

Li-Xia Feng, 陕西省大分子科学重点实验室西安陕西师范大学化学与化学工程学院, Ling-Xia Jin, Weina Wang, Wen-Liang Wang

DOI

2011

Computational study on the mechanism for the gas‐phase reaction of dimethyl disulfide with OH

Wen-Liang Wang, Jing-Fan Xin, Yue Zhang, Weina Wang, Yan-Wen Lu

DOI

2011

On the kinetic mechanism of the hydrogen and oxygen abstraction reactions of CH3S with HOO: A dual-level direct dynamics study

Ying-Ying Liu, Wen-Liang Wang, Tianlei Zhang, Jia Cao, Weina Wang, Yue Zhang

DOI

2011

Computational study on the reaction of CH3SCH2CH3 with OH radical: mechanism and enthalpy of formation

Jia Cao, Wen-Liang Wang, Yue Zhang, Weina Wang, Tianlei Zhang, Jian Lv, Chun-Ying Li

DOI

2010

6-巯基嘌呤质子转移异构化的量子化学计算研究

任宏江，刘艳，杨晓慧，晏志军，王渭娜

《计算机与应用化学》

2010

CH3SO+HO2气相反应机理与主通道速率常数

卢彦霞，王文亮，王渭娜，刘英英，张越

《化学学报》

2010

5-氯尿嘧啶质子转移异构化的密度泛函理论研究

任宏江，刘艳，杨晓慧，晏志军，王渭娜

《化学通报(中英文)》

2010

A MP2(full) theoretical investigation on the π-halogen interaction between OCBBCO and X1X2 (X1, X2 = F, Cl, Br)

Xiu-fang Dong, Fu-De Ren, D. Cao, Weina Wang, Fuli Zhang

DOI

2010

A Theoretical Investigation on N7(H)→N9(H) Tautomerization of Isolated and Monohydrated 2,6‐Dithiopurine Combined with IPCM Solvent Model

Hong-Jiang Ren, Wen-Liang Wang, Weina Wang, Ni Wei

DOI

2010

Theoretical Studies on the Electronic Structures and Optical Properties of Tri-aryl End-capped Terthiophene Derivatives

N. Wei, Wenliang Wang, Shi-Wei Yin, Songwei Du, Weina Wang

DOI

2009

CH2SH与NO2双自由基反应机理的理论研究

辛景凡，王文亮，王渭娜，张越，吕剑

《化学学报》

2009

5-氟胞嘧啶气相及水助质子转移异构化的理论研究

任宏江，晏志军，杨晓慧，王渭娜

《化学研究与应用》

2009

H2FCS单分子分解反应的直接动力学研究

刘艳，任宏江，刘亚强，王渭娜

《化学学报》

2009

胺基自由基绝热电离能的理论计算研究

田巍，姚建永，王渭娜，王文亮

《陕西师范大学学报(自然科学版)》

2009

Direct dynamics study on the mechanism and the kinetics of the reaction of CH3NH2 with OH

Wei Tian, Wen-Liang Wang, Yue Zhang, Weina Wang

DOI

2009

Theoretical investigation on the proton transfer isomerization mechanism of 5-fluorocytosine in the gas and water-assisted

Weina Wang

2008

CH3CH2S自由基H迁移异构化及裂解反应的理论研究

史朝辉，王文亮，王渭娜，李春迎，吕剑

《高等学校化学学报》

2008

2,6-二巯基嘌呤分子电离势和电子亲合能的密度泛函理论研究

任宏江，刘艳，王渭娜

《西安文理学院学报(自然科学版)》

2008

2,6-二巯基嘌呤异构体红外光谱的量子化学理论研究

任宏江，王雄斌，王渭娜

《西安文理学院学报(自然科学版)》

2008

单硫代次膦酸异构体及质子转移异构化反应的理论研究

吴东兵，王渭娜，赵飞，王文亮

《陕西师范大学学报(自然科学版)》

2008

Theoretical Investigation of Quantum Chemistry on 2,6-dithiopurine Tautomer IR Spectroscopy

Weina Wang

2008

Theoretical study on the multi-channel reaction of CH3S with ClO

Yan Liu, Wen-Liang Wang, Weina Wang, Kehe Su, Yue Zhang

DOI

2007

5-甲基胞嘧啶-BH3复合物构型及异构化机理的理论研究

靳玲侠，王文亮，吴东兵，王渭娜

《化学学报》

2007

CH3SOCH3与XO（X=Cl,Br）自由基反应的理论研究

史朝辉，王渭娜，吴东兵，王文亮

《化学研究与应用》

2007

2,6-二巯基嘌呤质子转移异构化的密度泛函理论研究

王文亮，任宏江，王渭娜

《化学学报》

2007

Theoretical study on the multi-channel reaction of OH radical with 5-methylcytosine

Wen-Liang Wang, Ling-Xia Jin, Weina Wang, Jian Lu, Jian-Ming Yang

DOI

2006

2,6-二巯基嘌呤互变异构体热力学稳定性的密度泛函理论研究

任宏江，王文亮，王渭娜，张聪杰

《化学研究与应用》

2006

CH3S与HCS双自由基反应的密度泛函理论研究

刘艳，王文亮，王渭娜，罗琼，李前树

《化学学报》

2006

CH4-nFn（n=1～3）与CH3氢抽提反应微观动力学的理论研究

冯丽霞，王文亮，李琳，王渭娜，罗琼，李前树

《高等学校化学学报》

2006

Direct dynamics study on the hydrogen abstraction reaction of CH3CH2F with O(3P)

Wen-Liang Wang, Li-Xia Feng, Weina Wang, Q. Luo, Qian-Shu Li

DOI

2005

CH3S自由基H迁移异构化及脱H2反应的直接动力学研究

王文亮，刘艳，王渭娜，罗琼，李前树

《化学学报》

2005

硝基胍H迁移异构化反应动力学的从头计算研究

王渭娜，任福德，毕艳丽，王文亮

Chinese Journal of Chemical Physics

2005

平面型四核铜簇合物Cu4（CH2XMen）4桥键性质的密度泛函研究

任福德，王文亮，吴东兵，王渭娜

Journal of Molecular Science

2005

Direct dynamics studies on the isomerization and H2 elimination reactions of H3PS

Weina Wang, Wen-Liang Wang, Q. Luo, Qian-Shu Li

DOI

2005

Direct dynamics study on the reaction of O(3P)+PH3→PH2+OH

Wen-Liang Wang, Weina Wang, Q. Luo, Chao-Yang Wang, Yu-Zhi Fang, Qian-Shu Li

DOI

精选作品

期刊论文

过渡金属/氧化物催化CO2加H2还原生成甲醇的甲酸盐与甲酰基路径的前线轨道对称性分析

几种光谱选择规律的证明与阐释

“站得高、讲得透、看得远”是讲好课的基本功——以结构化学课堂教学为例

计算化学实验助力有机反应机理学习——以HCl与不对称烯烃的亲电加成反应为例

“抽取共性–讲透典型–衍生个性”，构建晶体结构知识点图谱

“薛定谔方程–近似模型–核心概念–简单应用”——构建原子/分子结构教学内容的逻辑框架与知识点图谱

问题链教学法在结构化学教学中的应用——共轭分子休克尔分子轨道法

介绍一种关于四重映轴S4及四重反轴I4独立性的简洁推导

多参考态从头算方法在结构化学教学中的应用探索：以第二周期同核双原子分子为例

Application of Multireference ab initio Calculation in Teaching of Structure and Bonding Nature of 2nd Row Diatomic Molecules

结构化学课程教学中融入思政元素的探索

The catalytic effects of H2O , basic and acidic catalysts on the gas‐phase hydrolysis mechanism of carbonyl fluoride ( CF2O )

Atmospheric implication of synergy in methanesulfonic acid–base trimers: a theoretical investigation

Atmospheric Chemistry of Enols: The Formation Mechanisms of Formic and Peroxyformic Acids in Ozonolysis of Vinyl Alcohol.

Theoretical reinvestigation of the ozonolysis mechanism of allyl alcohol

CH3SS与HO2自由基的气相反应机理

五环[5.4.0.02,6.03,10.05,9]十一烷及其衍生物结构和性能的理论预测

Reaction mechanism and kinetics of Criegee intermediate CH2OO with CH2 = C(CH3)CHO

Theoretical investigation on the ozonolysis mechanism of (E)-2-formylcinnamaldehyde in the atmosphere

Atmospheric Chemistry of Enols: Vinyl Alcohol + OH + O2 Reaction Revisited.

Criegee中间体RCHOO（R=H,CH3）与NO2反应机理及大气中HNO3的形成

Quantum chemical studies of the OH-initiated oxidation reactions of propenols in the presence of O2

Criegee中间体RCHOO（R=H,CH3）与NCO的反应机理

Reactions between hydroxyl-substituted alkylperoxy radicals and Criegee intermediates: correlations of the electronic characteristics of methyl substituents and the reactivity

Oligomerization reactions for precursors to secondary organic aerosol: Comparison between two formation mechanisms for the oligomeric hydroxyalkyl hydroperoxides

Computational study on mechanisms of C2H5O2+OH reaction and properties of C2H5O3H complex

Criegee中间体CH 3 CHOO与OH自由基反应机理的理论研究

Criegee中间体CH3CHOO与H2O反应机理及酸催化效应

白皮杉醇甲氧基衍生物与OOH自由基的反应机理

含氧有机小分子与氧化铈表面相互作用的第一性原理研究

笼状化合物五环[5.3.0.02,5.03,9.04,8]十烷及其衍生物结构与性能的理论研究

Investigation of trimethylacetic acid adsorption on stoichiometric and oxygen-deficient CeO2(111) surfaces.

CeO2(111)上へのトリメチル酢酸の吸着の理論的研究

CRIEGEE中間体CH_3CHOOとH_2Oの反応機構と酸触媒効果【JST・京大機械翻訳】

Role of water clusters in the reaction of the simplest Criegee intermediate CH2OO with water vapour

Water-catalyzed decomposition of the simplest Criegee intermediate CH2OO

Theoretical Study of Trimethylacetic Acid Adsorption on CeO2(111) Surface

分子内C—H键胺化反应机理的DFT研究

白皮杉醇PIC与OH自由基反应机理的理论研究

Theoretical study on the thermal decomposition and isomerization of 3-Me-1-heptyl radical

Kinetic and mechanistic investigations of the thermal decomposition of methyl-substituted cycloalkyl radicals

2-甲基噻吩与NO3反应机理的理论研究

CH3CH2O+HCHO反应机理及主通道速率常数

Thermal decomposition and isomerization of 1-heptyl radical: a computational investigation

反式2-甲基-2-丁烯酸甲酯与臭氧反应机理的计算研究

HSO和OH的反应机理

吸热型碳氢燃料正癸烷热裂解机理、热沉及产物分布的理论研究

HOS和OH反应机理的理论研究

Theoretical kinetic investigation of thermal decomposition of methylcyclohexane

Dissociative Binding of Carboxylic Acid Ligand on Nanoceria Surface in Aqueous Solution: A Joint In Situ Spectroscopic Characterization and First-Principles Study

C2H3与CH3F氢抽提反应机理与动力学性质

Mechanism and Kinetics of the Hydrogen Abstraction Reaction of C 2 H 3 with CH 3 F

Computational study on the mechanism for the gas‐phase reaction of dimethyl disulfide with OH

On the kinetic mechanism of the hydrogen and oxygen abstraction reactions of CH3S with HOO: A dual-level direct dynamics study

Computational study on the reaction of CH3SCH2CH3 with OH radical: mechanism and enthalpy of formation

6-巯基嘌呤质子转移异构化的量子化学计算研究

CH3SO+HO2气相反应机理与主通道速率常数

5-氯尿嘧啶质子转移异构化的密度泛函理论研究

A MP2(full) theoretical investigation on the π-halogen interaction between OCBBCO and X1X2 (X1, X2 = F, Cl, Br)

A Theoretical Investigation on N7(H)→N9(H) Tautomerization of Isolated and Monohydrated 2,6‐Dithiopurine Combined with IPCM Solvent Model

Theoretical Studies on the Electronic Structures and Optical Properties of Tri-aryl End-capped Terthiophene Derivatives

CH2SH与NO2双自由基反应机理的理论研究

5-氟胞嘧啶气相及水助质子转移异构化的理论研究

H2FCS单分子分解反应的直接动力学研究

胺基自由基绝热电离能的理论计算研究

Direct dynamics study on the mechanism and the kinetics of the reaction of CH3NH2 with OH

Theoretical investigation on the proton transfer isomerization mechanism of 5-fluorocytosine in the gas and water-assisted

CH3CH2S自由基H迁移异构化及裂解反应的理论研究

2,6-二巯基嘌呤分子电离势和电子亲合能的密度泛函理论研究

2,6-二巯基嘌呤异构体红外光谱的量子化学理论研究

单硫代次膦酸异构体及质子转移异构化反应的理论研究

Theoretical Investigation of Quantum Chemistry on 2,6-dithiopurine Tautomer IR Spectroscopy

Theoretical study on the multi-channel reaction of CH3S with ClO

5-甲基胞嘧啶-BH3复合物构型及异构化机理的理论研究

CH3SOCH3与XO（X=Cl,Br）自由基反应的理论研究

2,6-二巯基嘌呤质子转移异构化的密度泛函理论研究

Theoretical study on the multi-channel reaction of OH radical with 5-methylcytosine

2,6-二巯基嘌呤互变异构体热力学稳定性的密度泛函理论研究