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1

ChemInform Abstract: Pb2B5O9I: An Iodide Borate with Strong Second Harmonic Generation.

Yi-Zhi Huang, Li-Ming Wu, Xin-Tao Wu, Long-Hua Li, Ling Chen, Yong-Fan Zhang

Journal:

Year:

2010

Language:

english

File:

PDF, 23 KB

english, 2010

2

A density functional study on the electronic structures of TiN solid

Li Jun-Qian, Zhang Yong-Fan

Journal:

Chinese Journal of Chemistry

Year:

2000

Language:

english

File:

PDF, 546 KB

english, 2000

3

Conversion of N2O to N2 on MgO (001) surface with vacancy: A DFT study

Yi-Jun Xu, Jun-Qian Li, Yong-Fan Zhang

Journal:

Chinese Journal of Chemistry

Year:

2003

Language:

english

File:

PDF, 669 KB

english, 2003

4

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

Year:

2006

Language:

english

File:

PDF, 297 KB

english, 2006

5

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

Year:

2008

Language:

english

File:

PDF, 1.23 MB

english, 2008

6

Cluster models study of CH2O adsorption and dissociation at defect sites of MgO (0 0 1) surface

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

Journal:

Physica B: Condensed Matter

Year:

2004

Language:

english

File:

PDF, 367 KB

english, 2004

7

Investigating the role of cationic vacancy on the MgO (0 0 1) defect surface: Embedded cluster models study

Yi-Jun Xu, Yong-Fan Zhang, Jun-Qian Li

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 491 KB

english, 2005

8

The interaction of X2 (X = F, Cl, and Br) with active sites of graphite

Yi-Jun Xu, Yong-Fan Zhang, Jun-Qian Li

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 313 KB

english, 2006

9

Theoretical study of the hydroboration reaction of disilenes with borane

Yi-Jun Xu, Yong-Fan Zhang, Jun-Qian Li

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 606 KB

english, 2006

10

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

Year:

2006

Language:

english

File:

PDF, 391 KB

english, 2006

11

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

Year:

2007

Language:

english

File:

PDF, 432 KB

english, 2007

12

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

Year:

2007

Language:

english

File:

PDF, 541 KB

english, 2007

13

Time-dependent density functional theory study on spectrum properties of Mg-doped GaN

Xiao-Lin Hu, Jun-Qian Li, Yong-Fan Zhang, Yi Li, Chun-Li Hu, Kai-Ning Ding

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 645 KB

english, 2009

14

Synthesis of the first 1,3-disubstituted 1,3-butadienyl heteroannular bridged [4]ferrocenophane

Kai-Qiang Wu, Li-Li Xie, Yong-Fan Zhang, Feng-Bo Xu, Yao-Feng Yuan

Journal:

Journal of Organometallic Chemistry

Year:

2011

Language:

english

File:

PDF, 473 KB

english, 2011

15

Exact solutions of an extended Dicke model

Feng Pan, Tao Wang, Jing Pan, Yong-Fan Li, J.P. Draayer

Journal:

Physics Letters A

Year:

2005

Language:

english

File:

PDF, 112 KB

english, 2005

16

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

Year:

2004

Language:

english

File:

PDF, 177 KB

english, 2004

17

Effect of halogen displacements on the exchange coupling in methyloxo-bridged binuclear copper (II) complexes: a density functional study

Xiang Sheng-Chang, Li Jun-Qian, Zhang Yong-Fan

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 207 KB

english, 2003

18

Cl2 adsorption on MgO(001) surface supported sodium monolayers: a density functional theory study

Jun-Qian Li, Yi-Jun Xu, Yong-Fan Zhang

Journal:

Solid State Communications

Year:

2003

Language:

english

File:

PDF, 202 KB

english, 2003

19

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

Year:

2009

Language:

english

File:

PDF, 379 KB

english, 2009

20

Theoretical analysis on yellow emission of gallium nitride with vacancy defects or impurities

Xiao-Lin Hu, Jun-Qian Li, Yong-Fan Zhang, Hao-Hong Li, Yi Li

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2009

Language:

english

File:

PDF, 273 KB

english, 2009

21

Clinical Application of Layered Anastomosis During Esophagogastrostomy

Zi-Jiang Zhu, Yong-Fan Zhao, Long-Qi Chen, Yang Hu, Lun-Xu Liu, Yun Wang, Ying-Li Kou

Journal:

World Journal of Surgery

Year:

2008

Language:

english

File:

PDF, 212 KB

english, 2008

22

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

Year:

2008

Language:

english

File:

PDF, 250 KB

english, 2008

23

A density functional study on the electronic structures of TiX (X=C, N, O). Part I. The electronic structures and bonding properties of TiN bulk and (001) surface

Jun-Qian Li, Yong-Fan Zhang, Sheng-Chang Xiang, Ying-Nan Chiu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2000

Language:

english

File:

PDF, 146 KB

english, 2000

24

A density functional study on the electronic structures of TiX (X=C, N, O). Part II. Investigations on the electronic structures of TiC bulk and surfaces

Yong-Fan Zhang, Jun-Qian Li, Li-Ming Wu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2000

Language:

english

File:

PDF, 289 KB

english, 2000

25

An ab initio study on the chemical bond and the mechanism of cluster formation of the tungsten-sulfur clusters

Jun-Qian Li, Yong-Fan Zhang, Zun-Xing Huang, Li-Ming Wu, Li-Xin Zhou, Shao-Fang Lu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 718 KB

english, 1998

26

Solvent- and anion-controlled photochromism of viologen-based metal–organic hybrid materials

Sun, Jian-Ke, Wang, Peng, Yao, Qing-Xia, Chen, Yong-Juan, Li, Zhao-Hui, Zhang, Yong-Fan, Wu, Li-Ming, Zhang, Jie

Journal:

Journal of Materials Chemistry

Year:

2012

Language:

english

File:

PDF, 697 KB

english, 2012

27

First-principles investigation of H2O on HfO2 (110) surface

Li, Lu, Huang, Xin, Zhang, Yong-Fan, Guo, Xin, Chen, Wen-Kai

Journal:

Applied Surface Science

Year:

2013

Language:

english

File:

PDF, 1.51 MB

english, 2013

28

Selective Oxidation of the TiC(001) Surface by O 2 : Determined by the Surface States

Zhang, Yong-fan, Li, Jun-qian, Liu, Zhi-feng

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 628 KB

english, 2004

29

SiC 2 Siligraphene and Nanotubes: Novel Donor Materials in Excitonic Solar Cells

Zhou, Liu-Jiang, Zhang, Yong-Fan, Wu, Li-Ming

Journal:

Year:

2013

Language:

english

File:

PDF, 2.54 MB

english, 2013

30

On the structural and electronic properties of hexanuclear vanadium oxide clusters V6On−/0 (n=12–15): Is V6O12 cluster planar or cage-like?

Wang, Ling-Fei, Xie, Lu, Fang, Hong-Ling, Li, Yun-Fei, Zhang, Xiao-Bin, Wang, Bin, Zhang, Yong-Fan, Huang, Xin

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 2.44 MB

english, 2014

31

A New Type of Hybrid Magnetic Semiconductor Based upon Polymeric Iodoplumbate and Metal−Organic Complexes as Templates

Zhang,, Xiang, Sheng-Chang, Zhang, Yong-Fan, Wu, A-Qing, Cai, Li-Zhen, Guo,, Huang, Jin-Shun

Journal:

Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 229 KB

english, 2006

32

Organic Functionalization of Diamond (100) by Addition Reactions of Carbene, Silylene, and Germylene: A Theoretical Prediction

Xu, Yi-Jun, Zhang, Yong-Fan, Li, Jun-Qian

Journal:

Journal of Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 182 KB

english, 2005

33

Predicting Facile Epoxidation of the Diamond (100) Surface by Dioxiranes and Subsequent Ring-Opening Reactions with Nucleophiles

Xu, Yi-Jun, Zhang, Yong-Fan, Li, Jun-Qian

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 345 KB

english, 2006

34

First-principles studies of the TE properties of [110]-Ge/Si core/shell nanowires with different surface structures

Shen, Jin-Ni, Wu, Li-Ming, Zhang, Yong-Fan

Journal:

Journal of Materials Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.02 MB

english, 2014

35

Structural characterizations and electronic properties of Ti-doped SnO[sub 2](110) surface: A first-principles study

Lin, Wei, Zhang, Yong-Fan, Li, Yi, Ding, Kai-Ning, Li, Jun-Qian, Xu, Yi-Jun

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 550 KB

english, 2006

36

A Theoretical Study on the Electronic Structures of TiO 2 : Effect of Hartree−Fock Exchange

Zhang, Yong-fan, Lin, Wei, Li, Yi, Ding, Kai-ning, Li, Jun-qian

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 775 KB

english, 2005

37

Functionalization of Diamond (100) by Organic Cycloaddition Reactions of Nitrenes: A Theoretical Prediction

Xu, Yi-Jun, Zhang, Yong-Fan, Li, Jun-Qian

Journal:

Journal of Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 121 KB

english, 2005

38

Organic Functionalization of the Si (100) and Ge (100) Surfaces by Cycloadditions of Carbenes and Nitrenes: A Theoretical Prediction

Xu, Yi-Jun, Zhang, Yong-Fan, Li, Jun-Qian

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 620 KB

english, 2006

39

Pb 2 B 5 O 9 I: An Iodide Borate with Strong Second Harmonic Generation

Huang, Yi-Zhi, Wu, Li-Ming, Wu, Xin-Tao, Li, Long-Hua, Chen, Ling, Zhang, Yong-Fan

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 660 KB

english, 2010

40

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

Year:

2006

Language:

english

File:

PDF, 373 KB

english, 2006

41

The Cycloadditions of Various Substituted Carbenes, Silylenes, and Germylenes onto the Diamond (100) Surface: A Theoretical Exploration

Xu, Yi-Jun, Zhang, Yong-Fan, Li, Jun-Qian

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 1.28 MB

english, 2006

42

Reaction Pathways for the Additions of Triplet Carbene, Silylene, Germylene and Nitrene onto the Diamond (100) Surface: A Theoretical Investigation

Xu, Yi-Jun, Zhang, Yong-Fan, Li, Jun-Qian

Journal:

The Journal of Physical Chemistry C

Year:

2007

Language:

english

File:

PDF, 617 KB

english, 2007

43

1,1?-Bi-isoquinoline: a chiral bidentate N-donor ligand with C2-symmetry; formation of optically active complexes with high chiral recognition

Dai, Li-Xin, Zhou, Zhen-Hua, Zhang, Ying-Zhi, Ni, Chao-Zhou, Zhang, Zhi-Ming, Zhou, Yong-Fan

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1987

Language:

english

File:

PDF, 217 KB

english, 1987

44

Charge-distribution-related regioisomerism of photoresponsive metal–organic polymeric chains

Sun, Jian-Ke, Wang, Peng, Chen, Cheng, Zhou, Xue-Jun, Wu, Li-Ming, Zhang, Yong-Fan, Zhang, Jie

Journal:

Dalton Transactions

Year:

2012

Language:

english

File:

PDF, 1.49 MB

english, 2012

45

First-Principles Studies of Lithium Adsorption and Diffusion on Graphene with Grain Boundaries

Zhou, Liu-Jiang, Hou, Z. F., Wu, Li-Ming, Zhang, Yong-Fan

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 1.85 MB

english, 2014

46

Magnetic and crystallographic properties of novel Fe-rich rare-earth nitrides of the type RTiFe11N1−δ (invited)

Yang, Ying-chang, Zhang, Xiao-dong, Ge, Sen-lin, Pan, Qi, Kong, Lin-shu, Li, Hailin, Yang, Ji-lian, Zhang, Bai-sheng, Ding, Yong-fan, Ye, Chun-tang

Journal:

Journal of Applied Physics

Year:

1991

Language:

english

File:

PDF, 761 KB

english, 1991

47

[IEEE 2012 International Conference on Wavelet Active Media Technology and Information Processing (ICWAMTIP) - Chengdu, China (2012.12.17-2012.12.19)] 2012 International Conference on Wavelet Active Media Technology and Information Processing (ICWAMTIP) - Review of Key-Based Dynamic Trust Authorization Mechanism

Jian-Jun Wang,, Jian-Ping Li,, Yong-Fan Li,, Jing Peng,

Year:

2012

Language:

english

File:

PDF, 159 KB

english, 2012

48

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

Year:

2004

Language:

english

File:

PDF, 724 KB

english, 2004

49

Neutron diffraction study of YFe10−xCoxMo2

Lin, Chin, Sun, Yun-Xi, Liu, Zun-Xiao, Li, Gang, Yang, Ji-Lian, Zhang, Bai-Shen, Ding, Yong-Fan, Jin, Lan

Journal:

Journal of Applied Physics

Year:

1991

Language:

english

File:

PDF, 499 KB

english, 1991

50

Neutron-diffraction study of YFe10−xCoxSi2

Lin, Chin, Li, Guo-Zhong, Liu, Zun-Xiao, Jiang, Hong-Wei, Wan, Zhong, Yang, Ji-Lian, Zhang, Bai-Shen, Ding, Yong-Fan

Journal:

Journal of Applied Physics

Year:

1991

Language:

english

File:

PDF, 456 KB

english, 1991