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1

First-principles study of O2 adsorption and dissociation on the CuCr2O4 (100) surface

Xiang-Lan Xu, Wen-Kai Chen, Jun-qian Li

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2008

Langue:

english

Fichier:

PDF, 706 KB

english, 2008

2

Silver Iodobismuthates: Syntheses, Structures, Properties, and Theoretical Studies of [Bi 2 Ag 2 I 102- ] n and [Bi 4 Ag 2 I 162- ] n

Chai, Wen-Xiang, Wu, Li-Ming, Li, Jun-Qian, Chen, Ling

Journal:

Inorganic Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 178 KB

english, 2007

3

Conformal deposition of Pt on titania nanotubes to produce a bio-electrode for neuro-stimulating applications

Wu, Yi-Jia, Chung, Tsai-Wei, Huang, Jun-Qian, Wu, Pu-Wei, Chen, Po-Chun, Lee, Jyh-Fu, Chan, Ting-Shan

Journal:

Electrochemistry Communications

Année:

2018

Langue:

english

Fichier:

PDF, 726 KB

english, 2018

4

Pulse electrodeposition of copper-manganese alloy in deep eutectic solvent

Chiang, Wei-Shen, Huang, Jun-Qian, Chen, Po-Chun, Wu, Pu-Wei, Joi, Aniruddha, Dordi, Yezdi

Journal:

Journal of Alloys and Compounds

Année:

2018

Langue:

english

Fichier:

PDF, 1.59 MB

english, 2018

5

Novel Organic-Inorganic Hybrid Coordination Polymer [(DBU-H)(PbI3)]n: Synthesis, Crystallographic Structure and Quantum Chemical Investigation.

Hao-Hong Li, Zhi-Rong Chen, Jun-Qian Li, Chang-Cang Huang, Guang-Can Xiao, Xiao-Lin Hu, Bin Zhao, Fu-Xian Xiao

Journal:

Année:

2006

Fichier:

PDF, 12 KB

2006

6

Novel Organic-inorganic Hybrid Coordination Polymer [(DBU-H)(PbI3)]n: Synthesis, Crystallographic Structure and Quantum Chemical Investigation

Hao-Hong Li, Zhi-Rong Chen, Jun-Qian Li, Chang-Cang Huang, Guang-Can Xiao, Xiao-Lin Hu, Bin Zhao, Fu-Xian Xiao

Journal:

Chinese Journal of Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 157 KB

english, 2005

7

Adsorption of Methanol and Methoxy on Cu(111) Surface: A First-principles Periodic Density Functional Theory Study

Wen-Kai Chen, Shu-Hong Liu, Mei-Juan Cao, Chun-Hai Lu, Ying Xu, Jun-Qian Li

Journal:

Chinese Journal of Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 144 KB

english, 2006

8

Synthesis and Characterization of Two Silver Iodides with One- and Three-Dimensional Hybrid Structures Constructed From Ag···Ag Interactions and Organic Templates

Hao-Hong Li, Zhi-Rong Chen, Jun-Qian Li, Chang-Cang Huang, Yong-Fan Zhang, Gui-Xiao Jia

Journal:

European Journal of Inorganic Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 297 KB

english, 2006

9

First-principles calculations of ethanethiol adsorption and decomposition on GaN (0 0 0 1) surface

Chun-Li Hu, Yong Chen, Jun-Qian Li, Yong-Fan Zhang

Journal:

Applied Surface Science

Année:

2008

Langue:

english

Fichier:

PDF, 1.23 MB

english, 2008

10

Interaction of photoactive catechol with TiO2 anatase (1 0 1) surface: A periodic density functional theory study

Ying Xu, Wen-Kai Chen, Shu-Hong Liu, Mei-Juan Cao, Jun-Qian Li

Journal:

Chemical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 450 KB

english, 2007

11

On the coverage-dependent orientation of benzene adsorbed on Cu(1 0 0): A density functional theory study

Wen-Kai Chen, Mei-Juan Cao, Shu-Hong Liu, Ying Xu, Jun-Qian Li

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 186 KB

english, 2005

12

A first-principles study of the chemi-adsorption of benzene on Au(1 0 0) surface

Wen-Kai Chen, Mei-Juan Cao, Shu-Hong Liu, Chun-Hai Lu, Ying Xu, Jun-Qian Li

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 373 KB

english, 2006

13

A DFT study of O2 adsorption on periodic GaN (0 0 0 1) and surfaces

Chun-Li Hu, Jun-Qian Li, Yong-Fan Zhang, Xiao-Lin Hu, Nai-Xia Lu, Yong Chen

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 391 KB

english, 2006

14

First-principles calculations of N2O adsorption and decomposition on GaN (0 0 0 1) surface

Chun-Li Hu, Yong Chen, Jun-Qian Li, Yong-Fan Zhang

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 432 KB

english, 2007

15

Theoretical study of O2 adsorption and reactivity on single-walled boron nitride nanotubes

Yong Chen, Chun-Li Hu, Jun-Qian Li, Gui-Xiao Jia, Yong-Fan Zhang

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 541 KB

english, 2007

16

Synthesis, structure and optical limiting effect of a novel inorganic–organic hybrid polymer containing mixed chains of copper(I)/iodine

Hao-Hong Li, Zhi-Rong Chen, Jun-Qian Li, Hong-Bing Zhan, Wen-Xuan Zhang, Chang-Cang Huang, Cheng Ma, Bin Zhao

Journal:

Journal of Solid State Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 328 KB

english, 2006

17

PbI4Cu2(PPh3)4: A heterometallic iodide with unusual cis-divacant octahedral coordination sphere for lead: Synthesis, structure, red-infrared fluorescence and theoretical studies

Le-Qing Fan, Yi-Zhi Huang, Li-Ming Wu, Ling Chen, Jun-Qian Li, En Ma

Journal:

Journal of Solid State Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 258 KB

english, 2006

18

Bulk and surface properties of spinel Co3O4 by density functional calculations

Xiang-Lan Xu, Zhan-Hong Chen, Yi Li, Wen-Kai Chen, Jun-Qian Li

Journal:

Surface Science

Année:

2009

Langue:

english

Fichier:

PDF, 1015 KB

english, 2009

19

Theoretical study of O2 adsorption on GaN surfaces

Lu Nai-Xia, Li Jun-Qian, Xu Yi-Jun, Chen Wen-Kai, Zhang Yong-Fan

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2004

Langue:

english

Fichier:

PDF, 177 KB

english, 2004

20

Interaction of CO and NO with the spinel CuCr2O4 (100) surface: A DFT study

Xiang-Lan Xu, Wen-Kai Chen, Zhan-Hong Chen, Jun-Qian Li, Yi Li

Journal:

International Journal of Quantum Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 366 KB

english, 2008

21

A reasonable criterion of reactivities at the defective region of single-walled carbon nanotubes

Gui-Xiao Jia, Jun-Qian Li, Lin-Gang Chen, Yi Li, Kai-Ning Ding, Yong-Fan Zhang

Journal:

International Journal of Quantum Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 379 KB

english, 2009

22

Novel Inorganic–Organic Hybrid Coordination Polymer [(C10H16N)3(Ag6I9)]n: Synthesis, Structure and Optical Limiting Effect

Hao-Hong Li, Zhi-Rong Chen, Jun-Qian Li, Chang-Cang Huang, Xiao-Lin Hu, Bin Zhao, Zhao-Xia Ni

Journal:

Journal of Cluster Science

Année:

2005

Langue:

english

Fichier:

PDF, 373 KB

english, 2005

23

Synthesis and Characterization of Organically Templated Copper Halides with Zero and One-dimensional Hybrid Structures: (nbq)4Cu4I8and [(ipq)2(Cu5I7)]n

Hao-Hong Li, Zhi-Rong Chen, Yuan Liu, Kai-Ning Ding, Jun-Qian Li, Chang-Cang Huang, Liang-Qia Guo

Journal:

Journal of Cluster Science

Année:

2007

Langue:

english

Fichier:

PDF, 386 KB

english, 2007

24

A TD-DFT study on the electronic spectrum of Ru(II)L2 [L = bis(5′-methyl-2,2′-bipyridine-6-carboxylato)] in the gas phase and DMF solution

Ying Xu, Wen-Kai Chen, Mei-Juan Cao, Shu-Hong Liu, Jun-Qian Li, Athanassios. I. Philippopoulos, Polycarpos Falaras

Journal:

Chemical Physics

Année:

2006

Langue:

english

Fichier:

PDF, 300 KB

english, 2006

25

An ionic compound containing molecular iodine (ipq)4(Cu2I6)·2I2: Synthesis and theoretical investigation

Hao-Hong Li, Zhi-Rong Chen, Yuan Liu, Ji-Bo Liu, Liang-Qia Guo, Jun-Qian Li

Journal:

Journal of Molecular Structure

Année:

2009

Langue:

english

Fichier:

PDF, 669 KB

english, 2009

26

Density functional theory study on electronic structure of N-doped In2O3

San-bing Liu, Jun-qian Li, Yong-fan Zhang, Xiang-lan Xu, Zhan-hong Chen

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2008

Langue:

english

Fichier:

PDF, 250 KB

english, 2008

27

A DFT Study of CO Catalytic Oxidation by N2O or O2 on the Co3O4(110) Surface

Xiang-Lan Xu, E Yang, Jun-Qian Li, Yi Li, Wen-Kai Chen

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 383 KB

english, 2009

28

Spontaneous conversion between mutL and 6 bpΔmutL in Salmonella typhimurium LT7: Association with genome diversification and possible roles in bacterial adaptation

Jun Gong, Wei-Qiao Liu, Gui-Rong Liu, Fang Chen, Jun-Qian Li, Guo-Min Xu, Ling Wang, Randal N. Johnston, Abraham Eisenstark, Shu-Lin Liu

Journal:

Année:

2007

Langue:

english

Fichier:

PDF, 748 KB

english, 2007

29

First-principles studies on linear and nonlinear optical effects in Ln4GaSbS9 (Ln=Ce–Nd, Sm, Gd–Tm, Lu)

Liu-Jiang Zhou, Ling Chen, Jun-Qian Li, Li-Ming Wu

Journal:

Journal of Solid State Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 1.11 MB

english, 2012

30

Structure-based computational study of the hydrolysis of New Delhi metallo-β-lactmase-1

Zhu, Kongkai, Lu, Junyan, Ye, Fei, Jin, Lu, Kong, Xiangqian, Liang, Zhongjie, Chen, Yong, Yu, Kunqian, Jiang, Hualiang, Li, Jun-Qian, Luo, Cheng

Journal:

Biochemical and Biophysical Research Communications

Année:

2013

Langue:

english

Fichier:

PDF, 792 KB

english, 2013

31

A Series of New Copper Iodobismuthates: Structural Relationships, Optical Band Gaps Affected by Dimensionality, and Distinct Thermal Stabilities

Chai, Wen-Xiang, Wu, Li-Ming, Li, Jun-Qian, Chen, Ling

Journal:

Inorganic Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 295 KB

english, 2007

32

Incorporating a Transition Metal Complex into Polymeric Iodoplumbate: Structure Characterization, Properties and Theoretical Study of a Unprecedented Hybrid Semiconductor: {[Cu(en) 2 ][Pb 2 I 6 ]} n

Li, Hao-Hong, Sun, Ling-Guo, Chen, Zhi-Rong, Wang, Yun-Jie, Li, Jun-Qian

Journal:

Australian Journal of Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 667 KB

english, 2008

33

A New Hybrid Optical Semiconductor Based on Polymeric Iodoplumbate Co-Templated by Both Organic Cation and Polyiodide Anion

Li, Hao-Hong, Chen, Zhi-Rong, Cheng, Li-Chuan, Liu, Ji-Bo, Chen, Xiao-Bo, Li, Jun-Qian

Journal:

Crystal Growth & Design

Année:

2008

Langue:

english

Fichier:

PDF, 616 KB

english, 2008

34

Prediction of Chemical Anisotropy on Sidewall of Boron Nitride Nanotubes: A New Application of Directional Curvature Theory

Chen, Yong, Li, Jun-Qian, Hu, Chun-Li

Journal:

The Journal of Physical Chemistry C

Année:

2008

Langue:

english

Fichier:

PDF, 826 KB

english, 2008

35

Structural Characteristics, Electronic Structure, and Thermoelectric Property of New Sb-Based Type-I Clathrates from Density Functional Theory Calculations

Li, Long-Hua, Chen, Ling, Li, Jun-Qian, Wu, Li-Ming

Journal:

Chemistry of Materials

Année:

2010

Langue:

english

Fichier:

PDF, 4.54 MB

english, 2010

36

Two Iodoargentate Hybrid Coordination Polymers Induced by Transition-Metal Complexes: Structures and Properties

Li, Hao-Hong, Chen, Zhi-Rong, Sun, Ling-Guo, Lian, Zhao-Xun, Chen, Xiao-Bo, Li, Jun-Bo, Li, Jun-Qian

Journal:

Crystal Growth & Design

Année:

2010

Langue:

english

Fichier:

PDF, 2.90 MB

english, 2010

37

Can the Localization Regime of [GaNNW/BNNT] Nanocables Change from Type II to Type I? First-Principles Studies

Li, Long-Hua, Chen, Ling, Wu, Li-Ming, Li, Jun-Qian

Journal:

The Journal of Physical Chemistry C

Année:

2009

Langue:

english

Fichier:

PDF, 1.25 MB

english, 2009

38

Electrophilic Reaction Mechanism for Alkyl Monolayer Formation Initiated at Isolated Dangling Bonds of the H−GaN (0001) Surface: A Periodic Density Functional Theory Study

Hu, Chun-Li, Li, Jun-Qian, Chen, Yong, Wang, Wen-Feng

Journal:

The Journal of Physical Chemistry C

Année:

2008

Langue:

english

Fichier:

PDF, 535 KB

english, 2008

39

Role of Spacers and Substituents in the Self-Assembly Process: Syntheses and Characterization of Three Novel Silver(I)/Iodine Polymers

Li, Hao-Hong, Chen, Zhi-Rong, Li, Jun-Qian, Huang, Chang-Cang, Zhang, Yong-Fan, Jia, Gui-Xiao

Journal:

Crystal Growth & Design

Année:

2006

Langue:

english

Fichier:

PDF, 373 KB

english, 2006

40

The First-Principles Study of Bulk CaB 6 and the Field Emission of CaB 6 Nanowires Using the HCTH Functional

Li, Long-Hua, Chen, Ling, Li, Jun-Qian, Wu, Li-Ming

Journal:

The Journal of Physical Chemistry C

Année:

2009

Langue:

english

Fichier:

PDF, 1.93 MB

english, 2009

41

Three silver iodides with zero and one-dimensional hybrid structures directed by conjugated organic templates: synthesis and theoretical study

Li, Hao-Hong, Chen, Zhi-Rong, Cheng, Li-Chuan, Feng, Miao, Zheng, Hui-Dong, Li, Jun-Qian

Journal:

Dalton Transactions

Année:

2009

Langue:

english

Fichier:

PDF, 558 KB

english, 2009

42

The adsorption and dissociation of Cl[sub 2] on the MgO (001) surface with vacancies: Embedded cluster model study

Xu, Yi-Jun, Li, Jun-Qian, Zhang, Yong-Fan, Chen, Wen-Kai

Journal:

The Journal of Chemical Physics

Année:

2004

Langue:

english

Fichier:

PDF, 724 KB

english, 2004

43

Theoretical Comparison of Oxygen Adsorption on Cu(100) Surface

Chen, Wen-kai, Lu, Chun-hai, Chen, Zhan-hong, Li, Yi, Li, Jun-qian

Journal:

Chinese Journal of Chemical Physics

Année:

2006

Langue:

english

Fichier:

PDF, 1.27 MB

english, 2006

44

Synthesis, Characterization, and Electronic Structures of Organically Templated Lead Halides with One- and Two-Dimensional Hybrid Structures, [(nbq)(PbI 3 )] n and {[(CH 3 ) 3 NC 2 H 4 N(CH 3 ) 3 ] 3 (Pb 6 I 18 )} n

Li, Hao-Hong, Chen, Zhi-Rong, Guo, Liang-Qia, Ding, Kai-Ning, Li, Jun-Qian, Huang, Chang-Cang, Cai, Zeng-Liang

Journal:

Australian Journal of Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 816 KB

english, 2007

45

The catassembled generation of naphthalene diimide coordination networks with lone pair-π interactions

Chen, Yong, Liu, Jian-Jun, Fan, Chang-Rong, Li, Jun-Qian, Lin, Mei-Jin

Journal:

Science China Chemistry

Année:

2016

Langue:

english

Fichier:

PDF, 717 KB

english, 2016

46

Synthesis, structures and magnetic properties of three copper(II) complexes of 2-(1H-pyrazol-3-yl) pyridine

Yang, Feng-Lei, Liang, Bei-Bei, Zhang, Jing-Hang, Wu, Wen-Hao, Zheng, Shuang-Quan, Mao, Yu-Ying, Chen, Jun-Qian, Cao, Jia-Xin, Zhu, Guang-Zhou

Journal:

Transition Metal Chemistry

Année:

2018

Langue:

english

Fichier:

PDF, 2.23 MB

english, 2018

47

Formation of Cu/MnO x composite film by concurrent electroplating and electrophoresis in an organic solvent

Chiang, Wei-Shen, Huang, Jun-Qian, Tso, Kuang-Chih, Hung, Pei-Sung, Chen, Po-Chun, Wu, Pu-Wei, Lee, Jyh-Fu

Journal:

Thin Solid Films

Année:

2018

Langue:

english

Fichier:

PDF, 1.77 MB

english, 2018