Chia-chung, Sun: search on Z-Library

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1

Structural and electronic properties of boron-doped lithium clusters: Ab initio and DFT studies

Ying Li, Di Wu, Zhi-Ru Li, Chia-Chung Sun

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 347 KB

english, 2007

2

Direct ab initio dynamics study of rate constants and kinetic isotope effects for C 2 (A 3 Π u ) + CH 3 OH reaction

Huo, Rui-Ping, Zhang, Xiang, Huang, Xu-Ri, Li, Ji-Lai, Sun, Chia-Chung

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 2.04 MB

english, 2012

3

Direct Dynamics Study on Hydrogen Abstraction Reaction of CF 3 CF 2 CH 2 OH with OH Radical

Wang, Ying, Liu, Jing-yao, Li, Ze-sheng, Wang, Li, Wu, Jia-yan, Sun, Chia-chung

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 351 KB

english, 2006

4

The crystallization of low-density polyethylene: a molecular dynamics simulation

Xiu-bin Zhang, Ze-sheng Li, Zhong-yuan Lu, Chia-Chung Sun

Journal:

Year:

2002

Language:

english

File:

PDF, 168 KB

english, 2002

5

Theoretical study on the stability of the novel B32 isomers and their metal-poly-boron MB32 cluster

Yuan-yuan Zhao, Ming-yu Zhang, Bao-guo Chen, Jian Zhang, Chia-Chung Sun

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 402 KB

english, 2006

6

Extraordinary superatom containing double shell nucleus: Li(HF)3Li connected mainly by intermolecular interactions

Xiao-Ying Sun, Zhi-Ru Li, Di Wu, Chia-Chung Sun

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 173 KB

english, 2007

7

Self-assembly of two-patch particles in solution: a Brownian dynamics simulation study

Li, Yang, Zhu, You-Liang, Li, Yan-Chun, Qian, Hu-Jun, Sun, Chia-Chung

Journal:

Molecular Simulation

Year:

2014

Language:

english

File:

PDF, 614 KB

english, 2014

8

Comparative metabolomics approach coupled with cell- and gene-based assays for species classification and anti-inflammatory bioactivity validation of Echinacea plants

Chia-Chung Hou, Chun-Houh Chen, Ning-Sun Yang, Yi-Ping Chen, Chiu-Ping Lo, Sheng-Yang Wang, Yin-Jing Tien, Pi-Wen Tsai, Lie-Fen Shyur

Journal:

The Journal of Nutritional Biochemistry

Year:

2010

Language:

english

File:

PDF, 2.15 MB

english, 2010

9

Theoretical Studies of the Electronic Structure and Spectroscopic Properties of [Ru(Htcterpy)(NCS)3]3–

Ming-Xia Li, Hong-Xing Zhang, Xin Zhou, Qing-Jiang Pan, Hong-Gang Fu, Chia-Chung Sun

Journal:

European Journal of Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 219 KB

english, 2007

10

The Structure and the Large Nonlinear Optical Properties of Li@Calix[4]pyrrole

Chen, Wei, Li, Zhi-Ru, Wu, Di, Li, Ying, Sun, Chia-Chung, Gu, Feng Long

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 112 KB

english, 2005

11

Characterization of solvated electrons in hydrogen cyanide clusters: (HCN)[sub n][sup −] (n=3, 4)

Wu, Di, Li, Ying, Li, Zhuo, Chen, Wei, Li, Zhi-Ru, Sun, Chia-Chung

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 630 KB

english, 2006

12

Cyanomethylidyne: A Reactive Carbyne Radical

Jian Wang, Yi-hong Ding, Chia-chung Sun

Journal:

Year:

2006

Language:

english

File:

PDF, 473 KB

english, 2006

13

The lithium-orientation effect on the hyperpolarizability in the short zigzag-edged monolithiated aza-Möbius graphene ribbon [2,7] isomers

Yin-Feng Wang, Yi Wang, Zhi-Ru Li, Zhuo Li, Hong-Liang Xu, Chia-Chung Sun

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 542 KB

english, 2011

14

Multiscale Simulation Study on the Curing Reaction and the Network Structure in a Typical Epoxy System

Liu, Hong, Li, Min, Lu, Zhong-Yuan, Zhang, Zuo-Guang, Sun, Chia-Chung, Cui, Tian

Journal:

Year:

2011

Language:

english

File:

PDF, 4.19 MB

english, 2011

15

Excess electron is trapped in a large single molecular cage C60F60

Yin-Feng Wang, Zhi-Ru Li, Di Wu, Chia-Chung Sun, Feng-Long Gu

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 770 KB

english, 2010

16

DISSIPATIVE PARTICLE DYNAMICS SIMULATION STUDY ON CONTROLLING MOLECULAR WEIGHT DISTRIBUTION IN EMULSION POLYMERIZATION

ZHANG, JING-MING, LI, HUI, LIU, HONG, SUN, CHIA-CHUNG

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 372 KB

english, 2011

17

Theoretical study on the rate constants for the C2H5 + HBr → C2H6 + Br reaction

Li Sheng, Ze-Sheng Li, Jing-Yao Liu, Jing-Fa Xiao, Chia-Chung Sun

Journal:

Journal of Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 107 KB

english, 2004

18

Homology modeling and molecular dynamics study of GSK3/SHAGGY-like kinase

Jing-Fa Xiao, Ze-Sheng Li, Miao Sun, Yuan Zhang, Chia-Chung Sun

Journal:

Computational Biology and Chemistry

Year:

2004

Language:

english

File:

PDF, 540 KB

english, 2004

19

Theoretical study for (BN)10 isomers and (BN)nC20 − 2n ring structures

Shu-Hong Xu, Ming-Yu Zhang, Yuan-Yuan Zhao, Bao-Guo Chen, Jian Zhang, Chia-Chung Sun

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 1.24 MB

english, 2006

20

A density functional theory study on photophysical properties of red light-emitting materials: Meso-substituted porphyrins

Xue-feng Ren, Ai-min Ren, Ji-kang Feng, Chia-chung Sun

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

2009

Language:

english

File:

PDF, 911 KB

english, 2009

21

Theoretical study on the potential energy surface of SiC2O

Hui-Ling Liu, Xu-Ri Huang, Chia-Chung Sun

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 322 KB

english, 2007

22

On the unitarily invariant decomposition of Hermitian operators

Chia-Chung Sun, Xue-Qui Li, Au-Chin Tang

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 339 KB

english, 1984

23

Low-lying electronic states of HNCS and its ions: a CASSCF/CASPT2 study

Tao Liu, Zeng-Xia Zhao, Ming-Xing Song, Hong-Xing Zhang, Chia-Chung Sun

Journal:

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

Year:

2011

Language:

english

File:

PDF, 309 KB

english, 2011

24

Direct dynamic study on the hydrogen abstraction reaction of H2CO with NCO

Hao Sun, Xu-Ri Huang, Xiu-Mei Pan, Rong-Shun Wang, Chia-Chung Sun

Journal:

International Journal of Chemical Kinetics

Year:

2009

Language:

english

File:

PDF, 191 KB

english, 2009

25

A Theoretical Study of the Low-Lying Electronic States of the AlCCH Radical and Its Ions

Liu, Yue-Jie, Zhao, Zeng-Xia, Song, Ming-Xing, Zhang, Hong-Xing, Sun, Chia-Chung

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 864 KB

english, 2010

26

Ion−Molecule Reaction Mechanism of SiCN + /SiNC + + HX (X = H, CH 3 , F, OH, NH 2 )

Wang, Jian, Ding, Yi-hong, Sun, Chia-chung

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 244 KB

english, 2005

27

Theoretical Study on Mechanism of the 3 CH 2 + N 2 O Reaction

Liu, Jian-jun, Ding, Yi-hong, Feng, Ji-kang, Tao, Yu-guo, Sun, Chia-chung

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 716 KB

english, 2002

28

Ab initio direct dynamics studies on the reactions of H atoms with CH[sub 3]Cl and CH[sub 3]Br

Sheng, Li, Li, Ze-Sheng, Liu, Jing-Yao, Xiao, Jing-Fa, Sun, Chia-Chung

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 360 KB

english, 2003

29

Rare gas atomic number dependence of the hyperpolarizability for rare gas inserted fluorohydrides, HRgF (Rg=He, Ar, and Kr)

Liu, Zhen-Bo, Li, Zhi-Ru, Zuo, Ming-Hui, Li, Qing-Zhong, Ma, Fang, Li, Zong-Jun, Chen, Guang-hui, Sun, Chia-Chung

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 404 KB

english, 2009

30

Theoretical mechanistic study on the radical-molecule reaction of CHCl2/CCl3 with NO2

Jia-Xu Zhang, Ze-Sheng Li, Jing-Yao Liu, Chia-Chung Sun

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 221 KB

english, 2006

31

Intrinsic symmetry of the AABb-type distribution

Xing-cai Xiao, Ze-sheng Li, Chia-chung Sun, Au-chin Tang

Journal:

Macromolecular Theory and Simulations

Year:

1994

Language:

english

File:

PDF, 252 KB

english, 1994

32

Molecular simulation studies of a selenium-containing scFv catalytic antibody that mimics glutathione peroxidase

Yuan Zhang, Ze-Sheng Li, Miao Sun, Qing-Chuan Zheng, Chia-Chung Sun

Journal:

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics

Year:

2005

Language:

english

File:

PDF, 1.69 MB

english, 2005

33

Ab initio direct dynamics studies on the reactions of chlorine atom with CH3 − nClnCHO (n = 1–3)

Ying Wang, Jing-yao Liu, Ze-sheng Li, Jia-yan Wu, Li Wang, Chia-chung Sun

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 775 KB

english, 2005

34

Theoretical study and rate constants calculation for the ClCH2OH + Cl reaction

Yue-Meng Ji, Jia-yan Wu, Jing-yao Liu, Ze-sheng Li, Chia-chung Sun

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 328 KB

english, 2006

35

Dual-level direct dynamics studies on the reactions of OH radicals with SiH3CH3 and SiH4

Hui Zhang, Ze-sheng Li, Jia-yan Wu, Jing-yao Liu, Li Sheng, Chia-chung Sun

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 222 KB

english, 2005

36

Theoretical study on 3-hydroxykynurenine transaminase by homology modeling and molecular dynamics

Qing-Chuan Zheng, Ze-Sheng Li, Miao Sun, Yuan Zhang, Chia-Chung Sun

Journal:

Year:

2005

Language:

english

File:

PDF, 621 KB

english, 2005

37

A comparative study of two-photon properties of zinc(II)-porphyrin, meso–meso singly-linked zinc(II)-diporphyrin and zinc(II) meso,meso-coupled porphyrin dimer via hydrogen bonding interactions

Xiang-Biao Zhang, Ji-Kang Feng, Ai-Min Ren, Chia-Chung Sun

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 270 KB

english, 2006

38

Single-electron hydrogen bonds in the methyl radical complexes H3C⋯HF and H3C⋯HCCH: an ab initio study

Bing-Qiang Wang, Zhi-Ru Li, Di Wu, Xi-Yun Hao, Ru-Jiao Li, Chia-Chung Sun

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 171 KB

english, 2003

39

An ab initio study on the reaction NH2+CH4 → NH3+CH3

Yong-Xue Yu, Shen-Min Li, Zhen-Feng Xu, Ze-Sheng Li, Chia-Chung Sun

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 138 KB

english, 1998

40

Direct ab initio dynamics studies on hydrogen-abstraction reactions of 1,1,1-trifluoroethane with hydroxyl radical

Li Sheng, Ze-Sheng Li, Jing-Fa Xiao, Jing-Yao Liu, Xu-Ri Huang, Chia-Chung Sun

Journal:

Chemical Physics

Year:

2002

Language:

english

File:

PDF, 232 KB

english, 2002

41

Theoretical study on the ion–molecule reaction of HCN+with NH3

Yan Li, Hui-ling Liu, Yan-bo Sun, Zhuo Li, Xu-ri Huang, Chia-chung Sun

Journal:

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

Year:

2009

Language:

english

File:

PDF, 1.02 MB

english, 2009

42

A barrier-free molecular radical-molecule reaction:({^{3}C_{2} (a^{3}Pi) {+} O_{2} (X^{3} Sigma)})

Ming-Hui Zuo, Ji-Lai Li, Xu-Ri Huang, Hui-Ling Liu, Cai-Yun Geng, Fei Li, Chia-Chung Sun

Journal:

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

Year:

2007

Language:

english

File:

PDF, 419 KB

english, 2007

43

Hydrogen abstraction from CF3CF2CFH2and CF3CFHCF2H by OH radicals and Cl atoms: theoretical enthalpies and rate constants

Hong Gao, Ying Wang, Qin Wang, Jing-Yao Liu, Chia-Chung Sun

Journal:

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

Year:

2009

Language:

english

File:

PDF, 363 KB

english, 2009

44

Theoretical studies on the electronic structures and optical properties of star-shaped triazatruxene/heterofluorene co-polymers

Zi-Long Zhang, Lu-Yi Zou, Ai-Min Ren, Ying-Fang Liu, Ji-Kang Feng, Chia-Chung Sun

Journal:

Dyes and Pigments

Year:

2013

Language:

english

File:

PDF, 2.10 MB

english, 2013

45

Theoretical Study on Structures and Stability of Si 2 CP Isomers

Chen, Guang-hui, Ding, Yi-hong, Huang, Xu-ri, Sun, Chia-chung

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 288 KB

english, 2005

46

Theoretical Study of the Reaction Mechanism of HCN + and CH 4 of Relevance to Titan's Ion Chemistry

Li, Yan, Liu, Hui-ling, Huang, Xu-ri, Geng, Cai-yun, Sun, Chia-chung, Tang, Au-chin

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 889 KB

english, 2008

47

Proton Transfer of NH 3 −HCl Catalyzed by Only One Molecule

Li, Ru-Jiao, Li, Zhi-Ru, Wu, Di, Chen, Wei, Li, Ying, Wang, Bing-Qiang, Sun, Chia-Chung

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 217 KB

english, 2005

48

What is the role of defects in single-walled carbon nanotubes for nonlinear optical property?

Liu, Zhen-Bo, Zhou, Zhong-Jun, Li, Zhi-Ru, Li, Qing-Zhong, Jia, Feng-Yan, Cheng, Jian-Bo, Sun, Chia-Chung

Journal:

Journal of Materials Chemistry

Year:

2011

Language:

english

File:

PDF, 363 KB

english, 2011

49

Direct ab initio dynamics calculations of the reaction rates for the hydrogen abstraction reaction Cl + HC(O)F → HCl + CFO

Wu, Jia-yan, Liu, Jing-yao, Li, Ze-sheng, Huang, Xu-ri, Sun, Chia-chung

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 109 KB

english, 2002

50

Asymmetrical linear structures including three-electron hemibonds or other interactions in the (ABA)-type triatomic cations: Ne[sub 3][sup +], (He–Ne–He)[sup +], (Ar–Ne–Ar)[sup +], (Ar–O–Ar)[sup +], (He–O–He)[sup +], and (Ar–He–Ar)[sup +]

Sun, Xiao-Ying, Li, Zhi-Ru, Wu, Di, Sun, Chia-Chung, Gudowski, Serge, Tao, Fu-Ming, Janda, Kenneth C.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 697 KB

english, 2005

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