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1

Negative differential resistance and switch behavior of T-B x N y ( x , y = 5, 6, 11) molecular junctions

Wang, Shi-Liang, Yang, Chuan-Lu, Wang, Mei-Shan, Ma, Xiao-Guang, Xin, Jian-Guo

Journal:

Physics Letters A

Year:

2017

Language:

english

File:

PDF, 3.04 MB

english, 2017

2

Degradation of chitin and production of bioactive materials by bioconversion of squid pens

San-Lang Wang, Chiann-Wen Yang, Tzu-Wen Liang, Juo-Hua Peng, Chuan-Lu Wang

Journal:

Carbohydrate Polymers

Year:

2009

Language:

english

File:

PDF, 365 KB

english, 2009

3

Dynamic mechanism for encapsulating two HIV replication inhibitor peptides with carbon nanotubes

Chen, Bao-Dong, Yang, Chuan-Lu, Wang, Mei-Shan, Ma, Xiao-Guang

Journal:

Chinese Physics B

Year:

2012

Language:

english

File:

PDF, 2.64 MB

english, 2012

4

The geometric, electronic and magnetic properties of ( n + m = 6) clusters: a density functional theory study

Xu, Ben-Fu, Yang, Chuan-Lu, Wang, Mei-Shan, Ma, Xiao-Guang

Journal:

Molecular Physics

Year:

2011

Language:

english

File:

PDF, 436 KB

english, 2011

5

The large absorption coefficient and photoconductivity of oP12-FeB 2 high hard material: A first-principles study

Zhao, Ze-Cheng, Yang, Chuan-Lu, Wang, Mei-Shan, Ma, Xiao-Guang, Zhan, Li-Bo, Yi, You-Gen

Journal:

Optik - International Journal for Light and Electron Optics

Year:

2017

Language:

english

File:

PDF, 686 KB

english, 2017

6

Pristine and Se-/In-doped TlAsS 2 enhance the solar energy-driven water splitting for hydrogen generation

Huang, Hai-Cai, Yang, Chuan-Lu, Wang, Mei-Shan, Ma, Xiao-Guang

Journal:

International Journal of Hydrogen Energy

Year:

2017

Language:

english

File:

PDF, 706 KB

english, 2017

7

Ab initio Studies on Spectroscopic Constants for the HAsO molecule

Xu, Qiushuang, Wang, Meishan, Zhao, Yanliang, Yang, Chuan-Lu, Ma, Xiaoguang

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 286 KB

english, 2017

8

The ground and low-lying excited states and feasibility of laser cooling for GaH + and InH + cations

Zhang, Qing-Qing, Yang, Chuan-Lu, Wang, Mei-Shan, Ma, Xiao-Guang, Liu, Wen-Wang

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2018

Language:

english

File:

PDF, 1.11 MB

english, 2018

9

ZnCdO2 monolayer — A complex 2D structure of ZnO and CdO monolayers for photocatalytic water splitting driven by visible-light

Zhao, Ze-Cheng, Yang, Chuan-Lu, Meng, Qing-Tian, Wang, Mei-Shan, Ma, Xiao-Guang

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2020

Language:

english

File:

PDF, 2.20 MB

english, 2020

10

What a Role did Histidine Residue Play in Arylamine N-Acetyltransferase 2 Acetylation? A Quantum Chemistry Study

Qing-An Qiao, Zheng-Ting Cai, Chuan-Lu Yang, Mei-Shan Wang

Journal:

Chinese Journal of Chemistry

Year:

2006

Language:

english

File:

PDF, 46 KB

english, 2006

11

Theoretical study on the structure and formation mechanism of [C6H5Mm]− (MAg, Au; m = 1–3)

Xiao-Jing Liu, Chuan-Lu Yang, Xiang Zhang, Ke-Li Han, Zi-Chao Tang

Journal:

Journal of Computational Chemistry

Year:

2008

Language:

english

File:

PDF, 627 KB

english, 2008

12

First-principles study of transport properties of endohedral Li@C20 metallofullerene

Yi-Peng An, Chuan-Lu Yang, Mei-Shan Wang, Xiao-Guang Ma, De-Hua Wang

Journal:

Current Applied Physics

Year:

2010

Language:

english

File:

PDF, 789 KB

english, 2010

13

Modified potential energy surface and time-dependent wave packet dynamics study for Cl + CH4 → HCl + CH3 reaction

Mao-you Yang, Chuan-Lu Yang, Jian-zhong Chen, Qing-gang Zhang

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 257 KB

english, 2008

14

High-efficiency storage of lithium with single-walled carbon nanotubes

Li-Xia Tian, Chuan-Lu Yang, Mei-Shan Wang, Xiao-Guang Ma

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 2.60 MB

english, 2011

15

Dominant role of the interstitial 4d transition-metal in (TM = Y–Cd, Z = 0, ±1) icosahedral cages

Chuan-Lu Yang, Mei-Shan Wang, Mei-Yu Sun, De-Hua Wang, Xiao-Guang Ma, Yu-Bing Gong

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 446 KB

english, 2008

16

Theoretical characters of the ground states of YbX (X = F, Cl, Br, I, At)

Tao Su, Chuan-Lu Yang, Xin-Qiang Wang, Feng-Juan Bai, Mei-Shan Wang

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 194 KB

english, 2009

17

Investigation of (5, 0) carbon nanotube-like boron structures using density functional theory

Chuan-Lu Yang, Yi-Peng An, Mei-Yu Sun, Mei-Shan Wang, De-Hua Wang, Xiao-Guang Ma, Yu-Bing Gong

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 534 KB

english, 2009

18

The geometric structure and electronic properties of Fe3O3+ clusters

Ben-Fu Xu, Chuan-Lu Yang, Mei-Shan Wang, Xiao-Guang Ma

Journal:

Physica B: Condensed Matter

Year:

2011

Language:

english

File:

PDF, 666 KB

english, 2011

19

Ab initio geometries, electronic structures of MgB2 molecule

Chuan-Lu Yang, Xin Zhang, Ke-Li Han

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 87 KB

english, 2004

20

Analytical potential energy function and spectroscopic parameters for the ground and excited states of NaH

Chuan-Lu Yang, Xin Zhang, Ke-Li Han

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 163 KB

english, 2004

21

Theoretical study on analytical potential function and spectroscopic parameters for CaF molecule

Chuan-Lu Yang, Xin Zhang, Ke-Li Han

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 189 KB

english, 2004

22

Ab initio study ground-state potential energy function of SiCl+

Ting-Qi Ren, Shi-Liang Ding, Chuan-Lu Yang

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 180 KB

english, 2005

23

MRCI potential curve and analytical potential energy function of the ground state (1Σ+) of HgZn

Feng Gao, Chuan-Lu Yang, Ting-Qi Ren

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 114 KB

english, 2006

24

MRCI study on the potential energy curves and spectroscopic parameters of the ground and low-lying excited states in CaF

Chuan-Lu Yang, Xiao-Yan Zhang, Feng Gao, Ting-Qi Ren

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 146 KB

english, 2007

25

MRCI study on the ground and low-lying excited states of lutetium dimer

Xiao-Yan Zhang, Chuan-Lu Yang, Feng Gao, Ting-Qi Ren

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 186 KB

english, 2007

26

MRCI potential energy curves and spectroscopic constants of the ground and low-lying excited states of HgCd

Feng Gao, Chuan-Lu Yang, Ji-Hua Wang, Ji-Fan Hu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 180 KB

english, 2009

27

Isotope effects of quantum dynamics for the Cl + CH4/CD4 reaction

Mao-you Yang, Chuan-Lu Yang

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 213 KB

english, 2010

28

MRCI potential curve and analytical potential energy function of the ground state of H2

Chuan-Lu Yang, Yu-Jun Huang, Xin Zhang, Ke-Li Han

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 108 KB

english, 2003

29

Geometrical and Electronic Properties of the Clusters of C20Cage Doped with Alkali Metal Atoms

Yi-Peng An, Chuan-Lu Yang, Mei-Shan Wang, Xiao-Guang Ma, De-Hua Wang

Journal:

Journal of Cluster Science

Year:

2011

Language:

english

File:

PDF, 270 KB

english, 2011

30

Isotopic effects on the stereodynamics for the reactions

Xiao Jing, Chuan-Lu Yang, Mei-Shan Wang, Xiao-Guang Ma

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 913 KB

english, 2011

31

Theoretical study of the scavenging mechanism to 1,4-dicarbonyls by pyridoxamine: The water-assisted reaction

Xin Chen, Qing-An Qiao, Yue-Qing Jin, Jie Jing, Quan-Wen Liu, Li-Xiang Sun, Mei-Shan Wang, Chuan-Lu Yang

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 279 KB

english, 2009

32

Structural, electronic, and magnetic properties of (n + m = 5) clusters

Ben-Fu Xu, Chuan-Lu Yang, Mei-Shan Wang, Xiao-Guang Ma

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 500 KB

english, 2010

33

An Idea to Produce Composite Nanowires with Copper Nanoparticles Filling Into Carbon Nanotubes

Tian, Li-Xia, Yang, Chuan-Lu, Wang, Mei-Shan, Ma, Xiao-Guang

Journal:

Journal of Computational and Theoretical Nanoscience

Year:

2011

Language:

english

File:

PDF, 7.34 MB

english, 2011

34

Collision energy effect on the H′ + BrH (ν = 0, j = 0) → H′Br + H reaction: A quasi-classical trajectory study

Jing-Juan Liang, Chuan-Lu Yang, Li-zhi Wang, Qing-gang Zhang

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 761 KB

english, 2012

35

Orientation effect on the electronic transport properties of C24 fullerene molecule

Wen-Kai Zhao, Chuan-Lu Yang, Jing-Fen Zhao, Mei-Shan Wang, Xiao-Guang Ma

Journal:

Physica B: Condensed Matter

Year:

2012

Language:

english

File:

PDF, 1.66 MB

english, 2012

36

Crystallization of alkane melts induced by carbon nanotubes and graphene nanosheets: a molecular dynamics simulation study

Yang, Jun-Sheng, Yang, Chuan-Lu, Wang, Mei-Shan, Chen, Bao-Dong, Ma, Xiao-Guang

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.33 MB

english, 2011

37

Single-walled carbon nanotube induction of rat aortic endothelial cell apoptosis: Reactive oxygen species are involved in the mitochondrial pathway

Wen-Wen Cheng, Zhi-Qing Lin, Bo-Fei Wei, Qiang Zeng, Bing Han, Chen-Xi Wei, Xian-Jun Fan, Chuan-Lu Hu, Li-Hua Liu, Jie-Hua Huang, Xu Yang, Zhu-Ge Xi

Journal:

The International Journal of Biochemistry & Cell Biology

Year:

2011

Language:

english

File:

PDF, 1.22 MB

english, 2011

38

Spectroscopic properties and vibrational levels for X2Σ+ and A2Π states of CS+ molecule: A multi-reference configuration interaction study

Li Wang, Chuan-Lu Yang, Mei-Shan Wang, Xiao-Guang Ma, Wen-Wang Liu

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 251 KB

english, 2011

39

The analytical potential energy functions, spectroscopic parameters and ro-vibrational spectra of SH+ molecule

Xin-Yan Liu, Chuan-Lu Yang, Mei-Shan Wang, Xiao-Guang Ma, Wen-Wang Liu

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 240 KB

english, 2012

40

The translocation of DNA oligonucleotide with the water stream in carbon nanotubes

Bao-Dong Chen, Chuan-Lu Yang, Jun-Sheng Yang, Mei-Shan Wang, Xiao-Guang Ma

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 632 KB

english, 2012

41

Quasi-classical Trajectory Study of the Ne + H 2+ → NeH + + H Reaction Based on Global Potential Energy Surface

Xiao, Jing, Yang, Chuan-Lu, Tong, Xiao-Fei, Wang, Mei-Shan, Ma, Xiao-Guang

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.71 MB

english, 2011

42

Effect of the reagent vibration on stereodynamics of the reaction Ca + HCl → CaCl + H

Li-Zhi Wang, Chuan-Lu Yang, Jing-Juan Liang, Li-Li Duan, Qing-Qang Zhang

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 670 KB

english, 2012

43

HP-β-CD-PLGA nanoparticles improve the penetration and bioavailability of puerarin and enhance the therapeutic effects on brain ischemia–reperfusion injury in rats

Hai-quan Tao, Qingfeng Meng, Ming-hui Li, Hui Yu, Mei-fang Liu, Dan Du, Shou-li Sun, Hai-cheng Yang, Yan-ming Wang, Wei Ye, Li-zhuang Yang, Da-ling Zhu, Chuan-lu Jiang, Hai-sheng Peng

Journal:

Naunyn-Schmiedeberg's Archives of Pharmacology

Year:

2013

Language:

english

File:

PDF, 1013 KB

english, 2013

44

Analytical potential energy functions and spectroscopic properties for the ground and low-lying excited states of KRb

Kun Chen, Chuan-Lu Yang, Mei-Shan Wang, Xiao-Guang Ma, Wen-Wang Liu

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2012

Language:

english

File:

PDF, 271 KB

english, 2012

45

Effects of electrode orientation on the transport properties of pyridine-terminated dithienylethene light molecule switch under bias

Wen-Kai Zhao, Chuan-Lu Yang, Mei-Shan Wang, Xiao-Guang Ma

Journal:

Solid State Communications

Year:

2013

Language:

english

File:

PDF, 1.37 MB

english, 2013

46

Isothermal Crystallization of Poly( l -lactide) Induced by Graphene Nanosheets and Carbon Nanotubes: A Comparative Study

Xu, Jia-Zhuang, Chen, Tao, Yang, Chuan-Lu, Li, Zhong-Ming, Mao, Yi-Min, Zeng, Bao-Qing, Hsiao, Benjamin S.

Journal:

Year:

2010

Language:

english

File:

PDF, 1.17 MB

english, 2010

47

Isothermal Crystallization of Short Polymer Chains Induced by the Oriented Slab and the Stretched Bundle of Polymer: A Molecular Dynamics Simulation

Yang, Jun-Sheng, Yang, Chuan-Lu, Wang, Mei-Shan, Chen, Bao-Dong, Ma, Xiao-Guang

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 5.67 MB

english, 2012

48

Stereodynamics of the reactions Ne+H +2 /Ne+D +2 /Ne+T 2

Xiao, Jing, Yang, Chuan-Lu, Wang, Mei-Shan

Journal:

Chinese Physics B

Year:

2012

Language:

english

File:

PDF, 1.25 MB

english, 2012

49

A new analytical potential energy surface for the singlet state of He2H+

Liang, Jing-Juan, Yang, Chuan-Lu, Wang, Li-Zhi, Zhang, Qing-Gang

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.05 MB

english, 2012

50

Dynamic mechanism of HIV replication inhibitor peptide encapsulated into carbon nanotubes

Chen, Bao-Dong, Yang, Chuan-Lu, Yang, Jun-Sheng, Wang, Mei-Shan, Ma, Xiao-Guang

Journal:

Current Applied Physics

Year:

2013

Language:

english

File:

PDF, 1.24 MB

english, 2013