Xu Ri Huang: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

51

Theoretical study on PCCCP and its isomers

Hui-ling Liu, Yi-hong Ding, Xu-ri Huang, Chia-chung Sun

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 700 KB

english, 2006

52

Theoretical investigation on potential energy surface of CSiNP molecule

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

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 937 KB

english, 2006

53

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

54

OH + HONO reaction: A theoretical study

De-Quan Wang, Ji-Lai Li, Xu-Ri Huang, Cai-Yun Geng, Chia-Chung Sun

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 3.90 MB

english, 2007

55

Si2CS: A new sulfur-containing molecule with singlet cyclic ground state

Zhong-Jun Zhou, Hui-Ling Liu, Xu-Ri Huang, Chia-Chung Sun

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 699 KB

english, 2008

56

Theoretical study on structures and stability of SiCP2 isomers

Fei Li, Feng-Hua Zhang, Hui-Ling Liu, Guang-Tao Yu, Xu-Ri Huang, Chia-Chung Sun

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 400 KB

english, 2008

57

Radical–radical reactions NCO (X2∏) + Cl (2Pu): Mechanistic study

De-Quan Wang, Yan Li, Xu-Ri Huang, Hui-Ling Liu, Chia-Chung Sun

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 1.25 MB

english, 2009

58

Adsorption of hydrogen on novel Pt-doped BN nanotube: A density functional theory study

Xi Mao Li, Wei Quan Tian, Xu-Ri Huang, Chia-Chung Sun, Lei Jiang

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 723 KB

english, 2009

59

A theoretical study of CH3ONO + H reaction

De-Quan Wang, Yan Li, Xu-Ri Huang, Hui-Ling Liu, Chia-Chung Sun

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 658 KB

english, 2009

60

Ion-molecule reaction mechanism of SF+ + PSCl3

Yan Li, Hui-ling Liu, Xu-ri Huang, De-quan Wang, Chia-chung Sun

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 778 KB

english, 2009

61

Theoretical study on the structures and stability of Si2PS isomers

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

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 807 KB

english, 2009

62

Theoretical studies on the adsorption of small molecules on Pt-doped BN nanotubes

Qi Dong, Xi Mao Li, Wei Quan Tian, Xu-Ri Huang, Chia-Chung Sun

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 2.43 MB

english, 2010

63

Reaction mechanism of CHCl− + CSO: A theoretical study

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

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 787 KB

english, 2010

64

Direct dynamic study on the hydrogen abstraction reaction C2(3Πu)+H2 → C2H+H

Xiang Zhang, Yi-hong Ding, Ze-sheng Li, Xu-ri Huang, Chia-chung Sun

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 148 KB

english, 2000

65

Computational study on structures, isomerization, and dissociation of [Si,N,C,S]+ isomers

Hai-tao Yu, Hong-gang Fu, Yu-juan Chi, Xu-ri Huang, Ze-sheng Li, Chia-chung Sun

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 854 KB

english, 2002

66

Theoretical study on the singlet potential energy surface of CHOP system

Hong-gang Fu, Hai-tao Yu, Yu-juan Chi, Ze-sheng Li, Xu-ri Huang, Chia-chung Sun

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 613 KB

english, 2002

67

Density functional theory direct dynamics study on the hydrogen abstraction reaction of CF3CHFCF3+OH→CF3CFCF3+H2O

Jing-yao Liu, Ze-sheng Li, Zhen-wen Dai, Xu-ri Huang, Chia-chung Sun

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 276 KB

english, 2002

68

Theoretical study and rate constant calculation for the F + CHFO reaction

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

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 360 KB

english, 2003

69

A theoretical study on the clusters Irn with n = 4, 6, 8, 10

Jian-Nan Feng, Xu-Ri Huang, Ze-Sheng Li

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 294 KB

english, 1997

70

Direct ab initio dynamics and theoretical rate constants studies for hydrogen-abstraction reactions of chlorine atoms with dibromomethane and tribromomethane

Jing-Fa Xiao, Ze-Sheng Li, Yi-Hong Ding, Xu-Ri Huang, Chia-Chung Sun

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 127 KB

english, 2002

71

Theoretical study on the isomerization of peroxynitrous acid (HOONO)

Hong Wei Jin, Zun Zhi Wang, Qian Shu Li, Xu Ri Huang

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 163 KB

english, 2003

72

Direct ab initio dynamics study on the largest methylgermane reaction GeH(CH3)3+H→Ge(CH3)3+H2

Yang Wu, Yi-hong Ding, Jing-fa Xiao, Ze-sheng Li, Xu-ri Huang, Chia-chung Sun

Journal:

Chemical Physics

Year:

2002

Language:

english

File:

PDF, 299 KB

english, 2002

73

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

74

Theoretical study of the Si2NO potential energy surface

Guang-Tao Yu, Xu-Ri Huang, Yi-Hong Ding, Wei Chen, Chia-Chung Sun

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 461 KB

english, 2007

75

A barrier-free atomic radical-molecule reaction: N (2D) NO2 (2A1) mechanistic study

Ming-Hui Zuo, Hui-Ling Liu, Xu-Ri Huang, Jin-Hui Zhan, Chia-Chung Sun

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 357 KB

english, 2008

76

Bonding and correlation analysis of various Si2CO isomers on the potential energy surface

Zhong-Jun Zhou, Hui-Ling Liu, Jian-Kang Yu, Guang-Tao Yu, Xu-Ri Huang

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 583 KB

english, 2009

77

Theoretical study on the ion–molecule reaction of NH+ with CH2O

Jian-Chao Song, Hui-Ling Liu, Zhong-Jun Zhou, Xu-Ri Huang

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 2.04 MB

english, 2012

78

Direct ab initio dynamics study of the reaction of C2(A3Πu) with CH4

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

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 546 KB

english, 2012

79

Theoretical study on structures and stability of HC2P isomers

Yi-hong Ding, Ze-sheng Li, Yu-guo Tao, Xu-ri Huang, Chia-chung Sun

Journal:

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

Year:

2002

Language:

english

File:

PDF, 601 KB

english, 2002

80

Direct ab initio dynamics calculations on the rate constants for the hydrogen-abstraction reaction of C2H5F with O (3P)

Jing-yao Liu, Ze-sheng Li, Zhen-wen Dai, Xu-ri Huang, Chia-chung Sun

Journal:

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

Year:

2002

Language:

english

File:

PDF, 234 KB

english, 2002

81

Structure and Stability of Isomers of the Promising Interstellar Molecule PC3O

Yang Liu, Xu-Ri Huang, Guang-Tao Yu, Hui-Ling Liu, Chia-Chung Sun

Journal:

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

Year:

2006

Language:

english

File:

PDF, 1.75 MB

english, 2006

82

Theoretical study on the potential energy surface of NC3P isomers

Hui-ling Liu, Xu-ri Huang, Yi-hong Ding, Chia-chung Sun

Journal:

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

Year:

2007

Language:

english

File:

PDF, 1.66 MB

english, 2007

83

Atomic radical—molecule reactions F +

Ji-Lai Li, Cai-Yun Geng, Xu-Ri Huang, Chia-Chung Sun

Journal:

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

Year:

2007

Language:

english

File:

PDF, 579 KB

english, 2007

84

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

85

Theoretical study on structures and stability of triplet SiC3O isomers

Fei Li, Xu-Ri Huang, Guang-Tao Yu, Chia-Chung Sun

Journal:

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

Year:

2007

Language:

english

File:

PDF, 1.85 MB

english, 2007

86

A CASPT2//CASSCF study of the quartet excited state( ilde{a}^{4}A^{primeprime})of the HCNN radical

Yang Liu, Xu-Ri Huang, Chia-Chung Sun

Journal:

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

Year:

2007

Language:

english

File:

PDF, 365 KB

english, 2007

87

Theoretical study on the potential energy surface of NC3P isomers

Hui-ling Liu, Xu-ri Huang, Yi-hong Ding, Chia-chung Sun

Journal:

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

Year:

2007

Language:

english

File:

PDF, 1.30 MB

english, 2007

88

Cis–transisomerization and spin multiplicity dependences on the static first hyperpolarizability for the two-alkali-metal-doped saddle[4]pyrrole compounds

Zong-Jun Li, Zhi-Ru Li, Fang-Fang Wang, Cheng Luo, Fang Ma, Hong-Liang Xu, Xu-Ri Huang

Journal:

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

Year:

2009

Language:

english

File:

PDF, 350 KB

english, 2009

89

Theoretical study on the mechanism of C2Cl3

Yan Li, Hui-ling Liu, Xu-ri Huang, De-quan Wang, Chia-chung Sun, Au-chin Tang

Journal:

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

Year:

2009

Language:

english

File:

PDF, 989 KB

english, 2009

90

Radical reaction HCNO

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, 1.86 MB

english, 2009

91

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

92

Theoretical study of the potential-energy surface of C2NP

Yi-hong Ding, Ze-sheng Li, Xu-ri Huang, Chia-chung Sun

Journal:

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

Year:

2001

Language:

english

File:

PDF, 187 KB

english, 2001

93

Theoretical mechanistic study of the reaction of the methylidyne radical with methylacetylene

Lili Zhang, Hui-ling Liu, Guang-Hui Yang, Xu-ri Huang, Yan Li, Yan-bo Sun, Chia-chung Sun

Journal:

Journal of Molecular Modeling

Year:

2011

Language:

english

File:

PDF, 2.25 MB

english, 2011

94

Theoretical explorations on the armchair BN nanotube with defects

Xi Mao Li, Wei Quan Tian, Xu Ri Huang, Chia Chung Sun, Lei Jiang

Journal:

Journal of Nanoparticle Research

Year:

2009

Language:

english

File:

PDF, 379 KB

english, 2009

95

Tunable stereoselectivity during sialylation using an N-acetyl-5-N,4-O-oxazolidinone-protected p-toluene 2-thio-sialoside donor with Tf2O/Ph2SO/TTBPy

Ya-Juan Wang, Jia Jia, Zhen-Yuan Gu, Fen-Fen Liang, Ri-Chen Li, Ming-Hao Huang, Cai-Shuang Xu, Jia-Xin Zhang, Yi Men, Guo-Wen Xing

Journal:

Carbohydrate Research

Year:

2011

Language:

english

File:

PDF, 1.09 MB

english, 2011

96

F/Cl + C2H2 reactions: Are the addition and hydrogen abstraction direct processes?

Ji-Lai Li, Cai-Yun Geng, Xu-Ri Huang, Jin-Hui Zhan, Chia-Chung Sun

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 1.63 MB

english, 2006

97

Three-dimensional modeling of squamous cell carcinoma antigen 2 and its interactions with serine protease

Xue-feng Gao, Xu-ri Huang, Jian-kang Yu, Xi Zhao, Chia-chung Sun

Journal:

Year:

2004

Language:

english

File:

PDF, 3.71 MB

english, 2004

98

Shear-induced crystallization of poly(phenylene sulfide)

Ri-Chao Zhang, Yi Xu, Ai Lu, Kemei Cheng, Yigang Huang, Zhong-Ming Li

Journal:

Year:

2008

Language:

english

File:

PDF, 3.49 MB

english, 2008

99

Diatomic radical–molecule reactions CN + HONO: Mechanistic study

De-Quan Wang, Ji-Lai Li, Xu-Ri Huang, Cai-Yun Geng, Chia-Chung Sun

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 889 KB

english, 2008

100

Theoretical study on the mechanism of the NCO + CH3 reaction

Ying Zhao, Yan Li, Hui-ling Liu, Xu-ri Huang, Chia-chung Sun

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 768 KB

english, 2010