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1

Computational Organic Chemistry: Bridging Theory and Experiment in Establishing the Mechanisms of Chemical Reactions

Cheng, Gui-Juan, Zhang, Xinhao, Chung, Lung Wa, Xu, Liping, Wu, Yun-Dong

Journal:

Journal of the American Chemical Society

Year:

2015

Language:

english

File:

PDF, 847 KB

english, 2015

2

A Density Functional Study on the Stereocontrol of the Sharpless Epoxidation

Wu, Yun-Dong, Lai, David K. W.

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 3.64 MB

english, 1995

3

Ligand-Controlled Remarkable Regio- and Stereodivergence in Intermolecular Hydrosilylation of Internal Alkynes: Experimental and Theoretical Studies

Ding, Shengtao, Song, Li-Juan, Chung, Lung Wa, Zhang, Xinhao, Sun, Jianwei, Wu, Yun-Dong

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 584 KB

english, 2013

4

A Theoretical Study on the Mechanism, Regiochemistry, and Stereochemistry of Hydrosilylation Catalyzed by Cationic Ruthenium Complexes

Chung, Lung Wa, Wu, Yun-Dong, Trost, Barry M., Ball, Zachary T.

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 406 KB

english, 2003

5

Reactions of Tetrakis(dimethylamide)−Titanium, −Zirconium and −Hafnium with Silanes: Synthesis of Unusual Amide Hydride Complexes and Mechanistic Studies of Titanium−Silicon−Nitride (Ti−Si−N) Formation

Liu, Xiaozhan, Wu, Zhongzhi, Cai, Hu, Yang, Yihui, Chen, Tianniu, Vallet, Catherine E., Zuhr, Ray A., Beach, David B., Peng, Zhi-Hui, Wu, Yun-Dong, Concolino, Thomas E., Rheingold, Arnold L., Xue, Zil

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 174 KB

english, 2001

6

Highly Regio- and Stereoselective Hydrosilylation of Internal Thioalkynes under Mild Conditions

Ding, Shengtao, Song, Li-Juan, Wang, Yong, Zhang, Xinhao, Chung, Lung Wa, Wu, Yun-Dong, Sun, Jianwei

Journal:

Angewandte Chemie International Edition

Year:

2015

Language:

english

File:

PDF, 1.39 MB

english, 2015

7

New Mechanistic Insights on the Selectivity of Transition-Metal-Catalyzed Organic Reactions: The Role of Computational Chemistry

Zhang, Xinhao, Chung, Lung Wa, Wu, Yun-Dong

Journal:

Accounts of Chemical Research

Year:

2016

Language:

english

File:

PDF, 1.75 MB

english, 2016

8

Universal Implementation of a Residue-Specific Force Field Based on CMAP Potentials and Free Energy Decomposition

Kang, Wei, Jiang, Fan, Wu, Yun-Dong

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 4.23 MB

english, 2018

9

A Missing Piece of the Mechanism in Metal-Catalyzed Hydrogenation: Co(−I)/Co(0)/Co(+I) Catalytic Cycle for Co(−I)-Catalyzed Hydrogenation

Wu, Song-Bai, Zhang, Tonghuan, Chung, Lung Wa, Wu, Yun-Dong

Journal:

Organic Letters

Year:

2019

Language:

english

File:

PDF, 1.31 MB

english, 2019

10

Isoporphycen, das vierte Porphyrin-Konstitutionsisomer mit N4-Kern – Auftreten von E/Z-Isomerie

Emanuel Vogel, Peter Scholz, Ralf Demuth, Christoph Erben, Martin Bröring, Hans Schmickler, Johann Lex, Georg Hohlneicher, Dominik Bremm, Yun-Dong Wu

Journal:

Angewandte Chemie

Year:

1999

Language:

german

File:

PDF, 171 KB

german, 1999

11

Isoporphycene: The Fourth Constitutional Isomer of Porphyrin with an N4 Core—Occurrence of E/Z Isomerism

Emanuel Vogel, Peter Scholz, Ralf Demuth, Christoph Erben, Martin Bröring, Hans Schmickler, Johann Lex, Georg Hohlneicher, Dominik Bremm, Yun-Dong Wu

Journal:

Angewandte Chemie International Edition

Year:

1999

Language:

english

File:

PDF, 159 KB

english, 1999

12

Theoretical Study of β-Peptide Models: Intrinsic Preferences of Helical Structures

Yun-Dong Wu, Jin-Qiu Lin, Yi-Lei Zhao

Journal:

Helvetica Chimica Acta

Year:

2002

Language:

english

File:

PDF, 338 KB

english, 2002

13

Der Einfluß von Torsionsspannung und elektrostatischen Wechselwirkungen auf die Stereochemie nucleophiler Additionen an Cyclohexanon und verwandte Systeme

Prof. Dr. Yun-Dong Wu, Prof. Dr. Kendall N. Houk, Prof. Dr. Michael N. Paddon-Row

Journal:

Angewandte Chemie

Year:

1992

Language:

german

File:

PDF, 390 KB

german, 1992

14

Octaphyrin-(1.0.1.0.1.0.1.0)

Martin Bröring, Jörg Jendrny, Lars Zander, Hans Schmickler, Johann Lex, Prof. Dr. Yun-Dong Wu, Maja Nendel, Jiangang Chen, Dietmar A. Plattner, Prof. Dr. Kendall N. Houk, Emanuel Vogel

Journal:

Angewandte Chemie

Year:

1995

File:

PDF, 384 KB

1995

15

Von Porphyrin-Isomeren zu octapyrrolischen Makrocyclen mit 8er-Konformation

Prof. Dr. Emanuel Vogel, Martin Bröring, Jürgen Fink, Daniel Rosen, Dr. Hans Schmickler, Dr. Johann Lex, Kyle W. K. Chan, Prof. Dr. Yun-Dong Wu, Maja Nendel, Dietmar A. Plattner, Prof. Dr. Kendall N.

Journal:

Angewandte Chemie

Year:

1995

Language:

german

File:

PDF, 663 KB

german, 1995

16

Kontrahierte Porphyrine: Octaethylisocorrol

Prof. Dr. Emanuel Vogel, Dr. Beate Binsack, Dr. Yvonne Hellwig, Dr. Christoph Erben, Andreas Heger, Dr. Johann Lex, Prof. Dr. Yun-Dong Wu

Journal:

Angewandte Chemie

Year:

1997

File:

PDF, 520 KB

1997

17

β2,3-Cyclic Aminoxy Acids: Rigid and Ring-Size-Independent Building Blocks of Foldamers

Dan Yang, Dan-Wei Zhang, Yu Hao, Yun-Dong Wu, Shi-Wei Luo, Nian-Yong Zhu

Journal:

Angewandte Chemie

Year:

2004

Language:

english

File:

PDF, 166 KB

english, 2004

18

A Highly Enantio- and Diastereoselective Cu-Catalyzed 1,3-Dipolar Cycloaddition of Azomethine Ylides with Nitroalkenes

Xiao-Xia Yan, Qian Peng, Yan Zhang, Kai Zhang, Wei Hong, Xue-Long Hou, Yun-Dong Wu

Journal:

Angewandte Chemie

Year:

2006

Language:

english

File:

PDF, 229 KB

english, 2006

19

A Highly Enantio- and Diastereoselective Cu-Catalyzed 1,3-Dipolar Cycloaddition of Azomethine Ylides with Nitroalkenes

Xiao-Xia Yan, Qian Peng, Yan Zhang, Kai Zhang, Wei Hong, Xue-Long Hou, Yun-Dong Wu

Journal:

Angewandte Chemie

Year:

2006

File:

PDF, 30 KB

2006

20

Highly Enantioselective Palladium-Catalyzed Alkylation of Acyclic Amides

Kai Zhang, Qian Peng, Xue-Long Hou, Yun-Dong Wu

Journal:

Angewandte Chemie

Year:

2008

Language:

english

File:

PDF, 332 KB

english, 2008

21

Highly Enantioselective Recognition of Structurally Diverse α-Hydroxycarboxylic Acids using a Fluorescent Sensor

Hai-Lin Liu, Qian Peng, Yun-Dong Wu, Di Chen, Xue-Long Hou, Michal Sabat, Lin Pu

Journal:

Angewandte Chemie

Year:

2010

Language:

english

File:

PDF, 363 KB

english, 2010

22

Effect of Torsional Strain and Electrostatic Interactions on the Stereochemistry of Nucleophilic Additions to Cyclohexanone and Related Systems

Prof. Dr. Yun-Dong Wu, Prof. Dr. Kendall N. Houk, Prof. Dr. Michael N. Paddon-Row

Journal:

Angewandte Chemie International Edition

Year:

1992

Language:

english

File:

PDF, 377 KB

english, 1992

23

Octaphyrin-(1.0.1.0.1.0.1.0)

Martin Bröring, Jörg Jendrny, Lars Zander, Dr. Hans Schmickler, Dr. Johann Lex, Prof. Dr. Yun-Dong Wu, Maja Nendel, Jiangang Chen, Dr. Dietmar A. Plattner, Kendall N. Houk, Prof. Dr. Emanuel Vogel

Journal:

Angewandte Chemie International Edition

Year:

1995

Language:

english

File:

PDF, 360 KB

english, 1995

24

From Porphyrin Isomers to Octapyrrolic “Figure Eight” Macrocycles

Prof. Dr. Emanuel Vogel, Martin Bröring, Jürgen Fink, Daniel Rosen, Dr. Hans Schmickler, Dr. Johann Lex, Kyle W. K. Chan, Prof. Dr. Yun-Dong Wu, Dr. Dietmar A. Plattner, Maja Nendel, Prof. Dr. Kendall

Journal:

Angewandte Chemie International Edition

Year:

1995

Language:

english

File:

PDF, 531 KB

english, 1995

25

Contracted Porphyrins: Octaethylisocorrole

Prof. Dr. Emanuel Vogel, Dr. Beate Binsack, Dr. Yvonne Hellwig, Dr. Christoph Erben, Andreas Heger, Dr. Johann Lex, Prof. Dr. Yun-Dong Wu

Journal:

Angewandte Chemie International Edition

Year:

1997

Language:

english

File:

PDF, 565 KB

english, 1997

26

β2,3-Cyclic Aminoxy Acids: Rigid and Ring-Size-Independent Building Blocks of Foldamers

Dan Yang, Dan-Wei Zhang, Yu Hao, Yun-Dong Wu, Shi-Wei Luo, Nian-Yong Zhu

Journal:

Angewandte Chemie International Edition

Year:

2004

Language:

english

File:

PDF, 166 KB

english, 2004

27

A Highly Enantio- and Diastereoselective Cu-Catalyzed 1,3-Dipolar Cycloaddition of Azomethine Ylides with Nitroalkenes

Xiao-Xia Yan, Qian Peng, Yan Zhang, Kai Zhang, Wei Hong, Xue-Long Hou, Yun-Dong Wu

Journal:

Angewandte Chemie International Edition

Year:

2006

Language:

english

File:

PDF, 229 KB

english, 2006

28

A Highly Enantio- and Diastereoselective Cu-Catalyzed 1,3-Dipolar Cycloaddition of Azomethine Ylides with Nitroalkenes

Xiao-Xia Yan, Qian Peng, Yan Zhang, Kai Zhang, Wei Hong, Xue-Long Hou, Yun-Dong Wu

Journal:

Angewandte Chemie International Edition

Year:

2006

File:

PDF, 31 KB

2006

29

Highly Enantioselective Palladium-Catalyzed Alkylation of Acyclic Amides

Kai Zhang, Qian Peng, Xue-Long Hou, Yun-Dong Wu

Journal:

Angewandte Chemie International Edition

Year:

2008

Language:

english

File:

PDF, 332 KB

english, 2008

30

Highly Enantioselective Recognition of Structurally Diverse α-Hydroxycarboxylic Acids using a Fluorescent Sensor

Hai-Lin Liu, Qian Peng, Yun-Dong Wu, Di Chen, Xue-Long Hou, Michal Sabat, Lin Pu

Journal:

Angewandte Chemie International Edition

Year:

2010

Language:

english

File:

PDF, 363 KB

english, 2010

31

Modification of (1R,2S)-1,2-Diphenyl-2-aminoethanol for the Highly Enantioselective, Asymmetric Alkylation of N-Diphenylphosphinoyl Arylimines with Dialkylzinc

Hai-Le Zhang, Fan Jiang, Xiao-Mei Zhang, Xin Cui, Liu-Zhu Gong, Ai-Qiao Mi, Yao-Zhong Jiang, Yun-Dong Wu

Journal:

Chemistry - A European Journal

Year:

2004

Language:

english

File:

PDF, 284 KB

english, 2004

32

A Cyclic Hexapeptide Comprising Alternating α-Aminoxy and α-Amino Acids is a Selective Chloride Ion Receptor

Dan Yang, Xiang Li, Yao Sha, Yun-Dong Wu

Journal:

Chemistry - A European Journal

Year:

2005

Language:

english

File:

PDF, 282 KB

english, 2005

33

Thermal Activation of Methane and Ethene by Bare MO.+ (M=Ge, Sn, and Pb): A Combined Theoretical/Experimental Study

Kai Chen, Dr. Zhe-Chen Wang, Dr. Maria Schlangen, Prof. Dr. Yun-Dong Wu, Dr. Xinhao Zhang, Prof. Dr. Helmut Schwarz

Journal:

Chemistry - A European Journal

Year:

2011

Language:

english

File:

PDF, 842 KB

english, 2011

34

Cover Picture: Thermal Activation of Methane and Ethene by Bare MO.+ (M=Ge, Sn, and Pb): A Combined Theoretical/Experimental Study (Chem. Eur. J. 35/2011)

Kai Chen, Dr. Zhe-Chen Wang, Dr. Maria Schlangen, Prof. Dr. Yun-Dong Wu, Dr. Xinhao Zhang, Prof. Dr. Helmut Schwarz

Journal:

Chemistry - A European Journal

Year:

2011

Language:

english

File:

PDF, 1.09 MB

english, 2011

35

ChemInform Abstract: Isoporphycene: The Fourth Constitutional Isomer of Porphyrin with an N4 Core — Occurrence of E/Z Isomerism.

Emanuel Vogel, Peter Scholz, Ralf Demuth, Christoph Erben, Martin Broering, Hans Schmickler, Johann Lex, Georg Hohlneicher, Dominik Bremm, Yun-Dong Wu

Journal:

Year:

2000

File:

PDF, 31 KB

2000

36

ChemInform Abstract: Conformational Features and Anion-Binding Properties of Calix[4]pyrrole: A Theoretical Study.

Yun-Dong Wu, Di-Fei Wang, Jonathan L. Sessler

Journal:

Year:

2001

File:

PDF, 26 KB

2001

37

ChemInform Abstract: Novel Photo-induced Coupling Reaction of 9-Fluorenylidenemalononitrile with 10-Methyl-9,10-dihydroacridine.

Hong Jiang, You-Cheng Liu, Jing Li, Guan-Wu Wang, Yun-Dong Wu, Quan-Ming Wang, Thomas C. W. Mak

Journal:

Year:

2002

File:

PDF, 28 KB

2002

38

Novel Small Organic Molecules for a Highly Enantioselective Direct Aldol Reaction.

Zhuo Tang, Fan Jiang, Luo-Ting Yu, Xin Cui, Liu-Zhu Gong, Ai-Qiao Mi, Yao-Zhong Jiang, Yun-Dong Wu

Journal:

Year:

2003

File:

PDF, 95 KB

2003

39

Accurate Calculation, Prediction, and Assignment of 3He NMR Chemical Shifts of Helium-3-Encapsulated Fullerenes and Fullerene Derivatives.

Guan-Wu Wang, Xin-Hao Zhang, Huan Zhan, Qing-Xiang Guo, Yun-Dong Wu

Journal:

Year:

2003

File:

PDF, 54 KB

2003

40

ChemInform Abstract: Reactivities of d0 Transition Metal Complexes Toward Oxygen: Synthetic and Mechanistic Studies

Shu-Jian Chen, Xin-Hao Zhang, Zhen-Yang Lin, Yun-Dong Wu, Zi-Ling Xue

Journal:

Year:

2010

File:

PDF, 15 KB

2010

41

ChemInform Abstract: Chemo- and Regioselectivity-Tunable Pd-Catalyzed Allylic Alkylation of Imines.

Jian-Ping Chen, Qian Peng, Bai-Lin Lei, Xue-Long Hou, Yun-Dong Wu

Journal:

Year:

2012

File:

PDF, 42 KB

2012

42

Theoretical study of sheets formed by β-peptides

Jin-Qiu Lin, Shi-Wei Luo, Yun-Dong Wu

Journal:

Journal of Computational Chemistry

Year:

2002

Language:

english

File:

PDF, 241 KB

english, 2002

43

A theoretical study on the catalytic mechanism of Mus musculus adenosine deaminase

Xian-Hui Wu, Guo-Lin Zou, Jun-Min Quan, Yun-Dong Wu

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 1.04 MB

english, 2010

44

A comparative theoretical study of the allyl alkali metals

Nicolaas J.R. van Eikema Hommes, Michael Bühl, Paul von Ragué Schleyer, Yun-Dong Wu

Journal:

Journal of Organometallic Chemistry

Year:

1991

Language:

english

File:

PDF, 861 KB

english, 1991

45

The preference of 1-methylallyl polar organometallics and carbanions for cis rather than for trans geometries

Paul von R. Schleyer, Jose Kaneti, Wu Yun-Dong, Jayaraman Chandrasekhar

Journal:

Journal of Organometallic Chemistry

Year:

1992

Language:

english

File:

PDF, 739 KB

english, 1992

46

Theoretical studies of stereoselective hydroborations

K.N. Houk, Nelson G. Rondan, Yun-Dong Wu, James T. Metz, Michael N. Paddon-Row

Journal:

Year:

1984

Language:

english

File:

PDF, 1.29 MB

english, 1984

47

The different expression of carcinoembryonic antigen-related cell adhesion molecule 1 (CEACAM1) and possible roles in gastric carcinomas

Cheng-Jun Zhou, Bin Liu, Kong-Xi Zhu, Qing-Hui Zhang, Ting-Guo Zhang, Wei-Hua Xu, Hong-Bo Wang, Wei-Hua Yu, Yun-Dong Qu, Hong-Juan Wang, Hong-Li Wu, Shan-Zhen Sun, Jian-Qiang Guo

Journal:

Pathology - Research and Practice

Year:

2009

Language:

english

File:

PDF, 601 KB

english, 2009

48

Mechanistic investigation on the reaction of 1,1-di-p-substituted phenyl-2,2-dinitroethylene with 1-benzyl-1,4-dihydronicotin-amide in oxygen saturated acetonitrile—clear evidence for intermediate mechanism

Hua-Jian Xu, Dan-Mei Dai, You-Cheng Liu, Jing Li, Shi-Wei Luo, Yun-Dong Wu

Journal:

Tetrahedron Letters

Year:

2005

Language:

english

File:

PDF, 117 KB

english, 2005

49

A study on the reactions of NADH models with electron-deficient alkenes. A probe for the extreme of concerted electron-hydrogen atom transfer mechanism

Xin-Qiang Fang, Hua-Jian Xu, Hong Jiang, You-Cheng Liu, Yao Fu, Yun-Dong Wu

Journal:

Tetrahedron Letters

Year:

2009

Language:

english

File:

PDF, 167 KB

english, 2009

50

Theoretical studies on the ring-opening metathesis reaction of norbornadiene with molybdenum alkylidenes

Yun-Dong Wu, Zhi-Hui Peng

Journal:

Inorganica Chimica Acta

Year:

2003

Language:

english

File:

PDF, 776 KB

english, 2003