Zuoyin Yang

发表

Theoretical investigation of Prolyl‐Histidine‐catalyzed intermolecular aldol reaction

Yufeng Zhang, Ming Lei, M. Pu, 2021 .

Theoretical study of N2O decomposition mechanism over binuclear Cu-ZSM-5 zeolites

Yaping Li, Xin Liu, Fazhi Zhang, 2015 .

The reaction paths of CH 2 O decomposition on CuO(111) surface: A DFT study

Wei Zhang, Ming Lei, M. Pu, 2019, Journal of Physical Organic Chemistry.

Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study

Ming Lei, M. Pu, Longfei Li, 2019, New Journal of Chemistry.

A Computational Study on Iridium‐Catalyzed Production of Acetic Acid from Ethanol and Water Solution

Ming Lei, M. Pu, Longfei Li, 2019, Chinese Journal of Chemistry.

1,2 addition or cycloaddition of allenes by a dihafnium μ−Nitrido complex? A DFT study

Ming Lei, M. Pu, Longfei Li, 2018, Journal of Organometallic Chemistry.

Theoretical Study of the Histidine-catalyzed Asymmetric Aldol Reaction of Acetone and Benzaldehyde.

Yufeng Zhang, Ming Lei, M. Pu, 2018, The journal of physical chemistry. A.

A First-Principles Study of Oxygen Formation Over NiFe-Layered Double Hydroxides Surface

Xiaoming Sun, Yaping Li, Zuoyin Yang, 2015, Catalysis Letters.

Density Functional Theory Study of Mechanism of N2O Decomposition over Cu-ZSM-5 Zeolites

Qian-shu Li, Yaping Li, Runduo Zhang, 2012 .

A density functional theory study of catalytic oxygen reduction reaction on Co-CoO(111)

Yaping Li, J. Chen, Zhuang Zhang, 2022, Molecular Catalysis.

Theoretical probes of the host–guest complex: H-substituted cyclohexane encapsulated inside a self-assembled capsule

W. Cao, Jingchang Zhang, X. Wang, 2007 .

Ab initio study on the strain and stability of the possible isomers of C40 and C40H40

Guichang Wang, Zunsheng Cai, Xuezhuang Zhao, 2002 .

A systematic investigation on the molecular behaviors of substituted fullerenes C34X2 (X=N, B)

Guichang Wang, Zunsheng Cai, Xuezhuang Zhao, 2002 .

pH-Dependent transfer hydrogenation or dihydrogen release catalyzed by a [(η6-arene)RuCl(κ2-N,N-dmobpy)]+ complex: a DFT mechanistic understanding

Z. Cao, Lin Zhang, Ming Lei, 2020, RSC advances.

Structure Simulation and Host–Guest Interaction of Histidine-Intercalated Hydrotalcite–Montmorillonite Complex

Ming Lei, M. Pu, Yang Gao, 2018 .

Asymmetric Induction with a Chiral Amine Catalyzed by a Ru-PNP Pincer Complex: Insight from Theoretical Investigation.

Jianliang Xiao, Lin Zhang, Ming Lei, 2020, Inorganic chemistry.

Theoretical Study on the Conformational Conversion of 1,3-Dioxane Inside a Capsular Host

W. Cao, Jingchang Zhang, X. Wang, 2008 .

Theoretical study on conformational conversion of cyclohexane inside two cylindrical molecular capsules

W. Cao, Jingchang Zhang, X. Wang, 2006 .

A theoretical investigation on the potential energy surface of CN2H rotation of the encapsulated 1-bicyclo[2.2.1]heptyldiazirine

W. Cao, Jingchang Zhang, X. Wang, 2007 .

Computational study of the rearrangement reaction mechanism of phenylcarbene in a molecular container: Cram's hemicarcerand

W. Cao, Jingchang Zhang, X. Wang, 2006 .

Theoretical study on conformational conversion of 1,3-dioxane inside a capsular host

W. Cao, J. Zhang, Zuoyin Yang, 2007 .

Geometries and properties of bimetallic phosphido-bridged complex Cp(CO)2W(μ-PPh2)W(CO)5 and Cp(CO)3W(μ-PPh2)W(CO)5

Fang Wang, W. Cao, Jingchang Zhang, 2007 .

Analysis of ice-binding sites in fish type II antifreeze protein by quantum mechanics.

Z. Jia, H. Tan, Guangju Chen, 2002, Biophysical journal.

Relationship between Al/Mg Ratio and the Stability of Single-layer Hydrotalcite

W. Cao, Jingchang Zhang, Zuoyin Yang, 2007 .

Computational study on the function of water within a beta-helix antifreeze protein dimer and in the process of ice-protein binding.

Z. Jia, Guangju Chen, Zuoyin Yang, 2003, Biophysical journal.

An experimental and theoretical study on the growth of plate-like β-HMX crystals in the hydroxylated interlayer space.

Shiliang Huang, Haobin Zhang, Jie Sun, 2021, Physical chemistry chemical physics : PCCP.

Structure of cis-[Pt(NH3)(2-picoline)]2+ and DNA adduct and its bonding characteristics

Guangju Chen, Zuoyin Yang, Muxin Jia, 2004 .

The Theoretical Study of Selective Oxidation of Styrene on Co 3 O 4 (112) Surface

Haichuan Guo, Yaping Li, Zuoyin Yang, 2013 .

First-Principles Study of Oxygen Evolution Reaction on the Oxygen-Containing Species Covered CoII-Exposing Co3O4 (100) Surface

Xiaoming Sun, Yaping Li, Zuoyin Yang, 2015, Catalysis Letters.

A theoretical study of the hydroboration of α,β-unsaturated carbonyl compounds catalyzed by a metal-free complex and subsequent C–C coupling with acetonitrile

Lin Zhang, Ming Lei, M. Pu, 2021, New Journal of Chemistry.

Theoretical study on the reaction mechanism of bis-addition of methyl azide to C60 (II)

W. Cao, Jingchang Zhang, Zuoyin Yang, 2006 .

A density functional theory study of the oxygen reduction reaction on the (111) and (100) surfaces of cobalt(II) oxide

Yang Tian, Guoxin Zhang, Yaping Li, 2019, Progress in Reaction Kinetics and Mechanism.

Transition-metal-free polycyclic indoline formation via a free radical pathway: a computational mechanistic study

Lin Zhang, Lin Lu, Biaolin Yin, 2020, Theoretical Chemistry Accounts.

CO2 reduction performance of Cu/Er supported on N-doped graphene: A first principles study

Yaping Li, Juncai Dong, Zheheng Jiang, 2023, Molecular Catalysis.

Relative energies of isomers of C36F2

Guichang Wang, Zunsheng Cai, Xuezhuang Zhao, 2001 .

The Density Functional Theory Investigation of Acetylene Hydrogenation on the Pd(111) Surface with Point Defect

Yaping Li, Zuoyin Yang, Xing Wang, 2013 .