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1

β-Carotene As a Lipophilic Scavenger of Nitric Oxide

Han, Rui-Min, Cheng, Hong, Feng, Ruopei, Li, Dan-Dan, Lai, Wenzhen, Zhang, Jian-Ping, Skibsted, Leif H.

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 1.25 MB

english, 2014

2

Energy-Related Small Molecule Activation Reactions: Oxygen Reduction and Hydrogen and Oxygen Evolution Reactions Catalyzed by Porphyrin- and Corrole-Based Systems

Zhang, Wei, Lai, Wenzhen, Cao, Rui

Journal:

Chemical Reviews

Year:

2016

Language:

english

File:

PDF, 16.70 MB

english, 2016

3

A tutorial for understanding chemical reactivity through the valence bond approach

Usharani, Dandamudi, Lai, Wenzhen, Li, Chunsen, Chen, Hui, Danovich, David, Shaik, Sason

Journal:

Chemical Society Reviews

Year:

2014

Language:

english

File:

PDF, 4.30 MB

english, 2014

4

Reaction Mechanism of Homoprotocatechuate 2,3-Dioxygenase with 4-Nitrocatechol: Implications for the Role of Substrate

Dong, Geng, Lai, Wenzhen

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 2.35 MB

english, 2014

5

Electrocatalytic Water Oxidation by a Water-Soluble Nickel Porphyrin Complex at Neutral pH with Low Overpotential

Han, Yongzhen, Wu, Yizhen, Lai, Wenzhen, Cao, Rui

Journal:

Inorganic Chemistry

Year:

2015

Language:

english

File:

PDF, 2.99 MB

english, 2015

6

Mechanistic Insights into Ring Cleavage of Hydroquinone by PnpCD from Quantum Mechanical/Molecular Mechanical Calculations

Li, Senzhi, Lu, Jiarui, Lai, Wenzhen

Journal:

Organic & Biomolecular Chemistry

Year:

2019

Language:

english

File:

PDF, 3.17 MB

english, 2019

7

Generation of Carbon Radical from Iron-Hydride/Alkene: Exchange-Enhanced Reactivity Selects the Reactive Spin State

Jiang, Hao, Lai, Wenzhen, Chen, Hui

Journal:

Year:

2019

File:

PDF, 490 KB

2019

8

The Valence Bond Way: Reactivity Patterns of Cytochrome P450 Enzymes and Synthetic Analogs

Shaik, Sason, Lai, Wenzhen, Chen, Hui, Wang, Yong

Journal:

Accounts of Chemical Research

Year:

2010

Language:

english

File:

PDF, 3.32 MB

english, 2010

9

First-Principles Study of K and Cs Adsorbed on Pd(111)

Lai, Wenzhen, Xie, Daiqian

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 260 KB

english, 2006

10

Full-dimensional quantum dynamics of Ã-state photodissociation of ammonia: Absorption spectra

Lai, Wenzhen, Lin, Shi Ying, Xie, Daiqian, Guo, Hua

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 771 KB

english, 2008

11

Origin of Nitric Oxide Reduction Activity in Flavo-Diiron NO Reductase: Key Roles of Second Coordination Sphere

Lu, Jiarui, Bi, Bo, Lai, Wenzhen, Chen, Hui

Journal:

Angewandte Chemie International Edition

Year:

2019

File:

PDF, 1.48 MB

2019

12

Hydroxyl Radical Reaction with trans -Resveratrol: Initial Carbon Radical Adduct Formation Followed by Rearrangement to Phenoxyl Radical

Li, Dan-Dan, Han, Rui-Min, Liang, Ran, Chen, Chang-Hui, Lai, Wenzhen, Zhang, Jian-Ping, Skibsted, Leif H.

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 1.49 MB

english, 2012

13

Multiple Low-Lying States for Compound I of P450 cam and Chloroperoxidase Revealed from Multireference Ab Initio QM/MM Calculations

Chen, Hui, Song, Jinshuai, Lai, Wenzhen, Wu, Wei, Shaik, Sason

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 2.23 MB

english, 2010

14

Oriented Electric Fields Accelerate Diels–Alder Reactions and Control the endo/exo Selectivity

Rinat Meir, Hui Chen, Wenzhen Lai, Sason Shaik

Journal:

Year:

2010

Language:

english

File:

PDF, 349 KB

english, 2010

15

First-principles study of adsorption of methyl, coadsorption of methyl and hydrogen, and methane dissociation on Ni(1 0 0)

Wenzhen Lai, Daiqian Xie, Dong Hui Zhang

Journal:

Surface Science

Year:

2005

Language:

english

File:

PDF, 334 KB

english, 2005

16

A DFT INVESTIGATION OF SULFUR ADSORPTION ON Ir(100)

HUANG, WUYING, LAI, WENZHEN, XIE, DAIQIAN

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 879 KB

english, 2007

17

Exchange-Enhanced H-Abstraction Reactivity of High-Valent Nonheme Iron(IV)-Oxo from Coupled Cluster and Density Functional Theories

Chen, Hui, Lai, Wenzhen, Shaik, Sason

Journal:

The Journal of Physical Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 1.84 MB

english, 2010

18

Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles

Lei, Haitao, Fang, Huayi, Han, Yongzhen, Lai, Wenzhen, Fu, Xuefeng, Cao, Rui

Journal:

Year:

2015

Language:

english

File:

PDF, 2.18 MB

english, 2015

19

Insights into the Reaction Mechanism of Aromatic Ring-Cleavage by Homogentisate Dioxygenase: A QM/MM Study

Qi, Yue, Lu, Jiarui, Lai, Wenzhen

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 4.63 MB

english, 2016

20

Mechanistic Insights into a Stibene Cleavage Oxygenase NOV1 from Quantum Mechanical/Molecular Mechanical Calculations

Lu, Jiarui, Lai, Wenzhen

Journal:

Year:

2019

File:

PDF, 3.08 MB

2019

21

Corrigendum: Oriented Electric Fields Accelerate DielsâAlder Reactions and Control the endo / exo Selectivity

Meir, Rinat, Chen, Hui, Lai, Wenzhen, Shaik, Sason

Journal:

Year:

2020

File:

PDF, 284 KB

2020

22

First-principles study of decomposition of NH3 on Ir(1 0 0)

Wuying Huang, Wenzhen Lai, Daiqian Xie

Journal:

Surface Science

Year:

2008

Language:

english

File:

PDF, 357 KB

english, 2008

23

Hydrolytic cleavage of both CS2 carbon–sulfur bonds by multinuclear Pd(II) complexes at room temperature

Jiang, Xuan-Feng, Huang, Hui, Chai, Yun-Feng, Lohr, Tracy Lynn, Yu, Shu-Yan, Lai, Wenzhen, Pan, Yuan-Jiang, Delferro, Massimiliano, Marks, Tobin J.

Journal:

Nature Chemistry

Year:

2016

Language:

english

File:

PDF, 2.81 MB

english, 2016

24

The auxinâinducible phosphate transporter AsPT5 mediates phosphate transport and is indispensable for arbuscule formation in Chinese milk vetch at moderately high phosphate supply

Fan, Xiaoning, Che, Xianrong, Lai, Wenzhen, Wang, Sijia, Hu, Wentao, Chen, Hui, Zhao, Bin, Tang, Ming, Xie, Xianan

Journal:

Environmental Microbiology

Year:

2020

Language:

english

File:

PDF, 1.94 MB

english, 2020

25

Dioxygen Activation by a Non-Heme Iron(II) Complex: Theoretical Study toward Understanding Ferric–Superoxo Complexes

Chen, Hui, Cho, Kyung-Bin, Lai, Wenzhen, Nam, Wonwoo, Shaik, Sason

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 642 KB

english, 2012

26

Multireference and Multiconfiguration Ab Initio Methods in Heme-Related Systems: What Have We Learned So Far?

Chen, Hui, Lai, Wenzhen, Shaik, Sason

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 1.40 MB

english, 2011

27

Effects of Substrate, Protein Environment, and Proximal Ligand Mutation on Compound I and Compound 0 of Chloroperoxidase †

Lai, Wenzhen, Chen, Hui, Cho, Kyung-Bin, Shaik, Sason

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 440 KB

english, 2009

28

Reaction Mechanism of Cobalt-Substituted Homoprotocatechuate 2,3-Dioxygenase: A QM/MM Study

Cao, Lili, Dong, Geng, Lai, Wenzhen

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 5.24 MB

english, 2015

29

Response-guided peginterferon therapy in patients with HBeAg-positive chronic hepatitis B: A randomized controlled study

Sun, Jian, Ma, Hong, Xie, Qing, Xie, Yao, Sun, Yongtao, Wang, Hao, Shi, Guangfeng, Wan, Mobin, Niu, Junqi, Ning, Qin, Yu, Yanyan, Zhou, Huijuan, Cheng, Jun, Kang, Wenzhen, Xie, Yi, Fan, Rong, Wei, Lai

Journal:

Journal of Hepatology

Year:

2016

Language:

english

File:

PDF, 1.35 MB

english, 2016

30

A first-principles study of K adsorption on Pb(111)

Lai, Wenzhen, Huang, Wuying, Xie, Daiqian

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 731 KB

english, 2008

31

Electrocatalytic Water Oxidation by a Water-Soluble Copper(II) Complex with a Copper-Bound Carbonate Group Acting as a Potential Proton Shuttle

Chen, Fangfang, Wang, Ni, Lei, Haitao, Guo, Dingyi, Liu, Hongfei, Zhang, Zongyao, Zhang, Wei, Lai, Wenzhen, Cao, Rui

Journal:

Inorganic Chemistry

Year:

2017

Language:

english

File:

PDF, 1.70 MB

english, 2017

32

ChemInform Abstract: Hydrogen-Abstraction Reactivity Patterns from A to Y: The Valence Bond Way

Wenzhen Lai, Chunsen Li, Hui Chen, Sason Shaik

Journal:

Year:

2012

File:

PDF, 18 KB

2012

33

Catalytic water oxidation at single metal sites

Cao, Rui, Lai, Wenzhen, Du, Pingwu

Journal:

Energy & Environmental Science

Year:

2012

Language:

english

File:

PDF, 1.48 MB

english, 2012

34

Singly versus Doubly Reduced Nickel Porphyrins for Proton Reduction: Experimental and Theoretical Evidence for a Homolytic Hydrogen-Evolution Reaction

Han, Yongzhen, Fang, Huayi, Jing, Huize, Sun, Huiling, Lei, Haitao, Lai, Wenzhen, Cao, Rui

Journal:

Angewandte Chemie International Edition

Year:

2016

Language:

english

File:

PDF, 1.62 MB

english, 2016

35

Enhanced Reactivities of Iron(IV)-Oxo Porphyrin π-Cation Radicals in Oxygenation Reactions by Electron-Donating Axial Ligands

Yaeun Kang, Hui Chen, Yu Jin Jeong, Wenzhen Lai, Eun Hae Bae, Sason Shaik, Wonwoo Nam

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 583 KB

english, 2009

36

EIS study on passive films of AISI 304 stainless steel in oxygenous sulfuric acid solution

Weiya Lai, Wenzhen Zhao, Feng Wang, Chengzhu Qi, Jun Zhang

Journal:

Surface and Interface Analysis

Year:

2009

Language:

english

File:

PDF, 365 KB

english, 2009

37

How do Enzymes Utilize Reactive OH radicals? Lessons from Non-Heme HppE and Fenton Systems

Wang, Binju, Lu, Jiarui, Dubey, Kshatresh Dutta, Dong, Geng, Lai, Wenzhen, Shaik, Sason

Journal:

Journal of the American Chemical Society

Year:

2016

Language:

english

File:

PDF, 2.74 MB

english, 2016

38

First-principles potential energy surfaces and vibrational states of H∕Rh(111) at 0.25 and 1 monolayer coverages

Ke, Zhihong, Lai, Wenzhen, Xie, Daiqian, Zhang, Dong Hui

Journal:

Journal of Applied Physics

Year:

2006

Language:

english

File:

PDF, 371 KB

english, 2006

39

QM/MM Calculations Reveal Important Role of Î±-Heteroatom Substituents in Controlling Selectivity of Mononuclear Nonheme HppE-Catalyzed Reactions

Lu, Jiarui, Wang, Binju, Shaik, Sason, Lai, Wenzhen

Journal:

Year:

2020

File:

PDF, 1.06 MB

2020

40

Initial steps in methanol steam reforming on PdZn and ZnO surfaces: Density functional theory studies

Gregory K. Smith, Sen Lin, Wenzhen Lai, Abhaya Datye, Daiqian Xie, Hua Guo

Journal:

Surface Science

Year:

2011

Language:

english

File:

PDF, 1.46 MB

english, 2011

41

Wasserstoffatomabstraktion von A bis Y: Reaktionsmuster nach der Valenzstrukturtheorie

Dr. Wenzhen Lai, Dr. Chunsen Li, Prof. Dr. Hui Chen, Prof. Dr. Sason Shaik

Journal:

Angewandte Chemie

Year:

2012

Language:

german

File:

PDF, 2.19 MB

german, 2012

42

Synthesis and Characterization of Walnut Peptides-Zinc Complex and Its Antiproliferative Ability against Human Breast Carcinoma Cells through Induction of Apoptosis

Liao, Wenzhen, Lai, Ting, Chen, Luying, Fu, Junning, Sreenivasan, Sreeprasad T, yu, zhiqiang, Ren, Jiaoyan

Journal:

Journal of Agricultural and Food Chemistry

Year:

2016

Language:

english

File:

PDF, 1.93 MB

english, 2016

43

Singly versus Doubly Reduced Nickel Porphyrins for Proton Reduction: Experimental and Theoretical Evidence for a Homolytic Hydrogen-Evolution Reaction

Han, Yongzhen, Fang, Huayi, Jing, Huize, Sun, Huiling, Lei, Haitao, Lai, Wenzhen, Cao, Rui

Journal:

Angewandte Chemie

Year:

2016

Language:

english

File:

PDF, 1.58 MB

english, 2016

44

Corrigendum: Oriented Electric Fields Accelerate DielsâAlder Reactions and Control the endo / exo Selectivity

Meir, Rinat, Chen, Hui, Lai, Wenzhen, Shaik, Sason

Journal:

Year:

2020

File:

PDF, 199 KB

2020

45

What Kinds of Ferryl Species Exist for Compound II of Chloroperoxidase? A Dialog of Theory with Experiment

Lai, Wenzhen, Chen, Hui, Shaik, Sason

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 1.29 MB

english, 2009

46

Mechanistic Insights into Dioxygen Activation, Oxygen Atom Exchange and Substrate Epoxidation by AsqJ Dioxygenase from Quantum Mechanical/Molecular Mechanical Calculations

Song, Xudan, Lu, Jiarui, Lai, Wenzhen

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.05 MB

english, 2017

47

Structures and vibrational frequencies of CO adlayers on Rh(111) surface

Haiyan Xiao, Wenzhen Lai, Daiqian Xie, Guosen Yan

Journal:

Science China Chemistry

Year:

2003

Language:

english

File:

PDF, 269 KB

english, 2003

48

Why Is Cobalt the Best Transition Metal in Transition-Metal Hangman Corroles for O–O Bond Formation during Water Oxidation?

Lai, Wenzhen, Cao, Rui, Dong, Geng, Shaik, Sason, Yao, Jiannian, Chen, Hui

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 1022 KB

english, 2012

49

External Electric Field Can Control the Catalytic Cycle of Cytochrome P450 cam : A QM/MM Study

Lai, Wenzhen, Chen, Hui, Cho, Kyung-Bin, Shaik, Sason

Journal:

The Journal of Physical Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 1.95 MB

english, 2010

50

Insights into the Mechanism of Aromatic Ring-Cleavage of Noncatecholic Compound 2-Aminophenol by Aminophenol Dioxygenase: A QM/MM Study

Dong, Geng, Lu, Jiarui, Lai, Wenzhen

Journal:

Year:

2016

Language:

english

File:

PDF, 2.94 MB

english, 2016

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