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51

Physical properties of hexagonal WN 2 under pressure

Li, Xiao-Feng, Zhai, Hong-Cun, Fu, Hong-Zhi, Liu, Zhong-Li, Ji, Guang-Fu

Journal:

Chinese Physics B

Year:

2011

Language:

english

File:

PDF, 228 KB

english, 2011

52

First-Principles Study of High-Pressure Behavior of Solid β-HMX

Cui, Hong-Ling, Ji, Guang-Fu, Chen, Xiang-Rong, Zhu, Wei-Hua, Zhao, Feng, Wen, Ya, Wei, Dong-Qing

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.43 MB

english, 2010

53

Initial Decomposition of the Condensed-Phase β-HMX under Shock Waves: Molecular Dynamics Simulations

Ge, Ni-Na, Wei, Yong-Kai, Ji, Guang-Fu, Chen, Xiang-Rong, Zhao, Feng, Wei, Dong-Qing

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 2.59 MB

english, 2012

54

Anisotropic Responses and Initial Decomposition of Condensed-Phase β-HMX under Shock Loadings via Molecular Dynamics Simulations in Conjunction with Multiscale Shock Technique

Ge, Ni-Na, Wei, Yong-Kai, Song, Zhen-Fei, Chen, Xiang-Rong, Ji, Guang-Fu, Zhao, Feng, Wei, Dong-Qing

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 3.42 MB

english, 2014

55

Structural, elastic, thermodynamic, electronic properties and phase transition in half-Heusler alloy NiVSb at high pressures

Gu, Jian-Bing, Wang, Chen-Ju, Cheng, Yan, Zhang, Lin, Cai, Ling-Cang, Ji, Guang-Fu

Journal:

Computational Materials Science

Year:

2015

Language:

english

File:

PDF, 2.43 MB

english, 2015

56

Structural and Thermodynamic Properties of Cerium via First-Principles Plane Wave Method with a Relativistic Analytic Pseudopotential

Li-Li, Sun, Guang-Fu, Ji, Xiang-Rong, Chen, Qing-Quan, Gou

Journal:

Chinese Physics Letters

Year:

2009

Language:

english

File:

PDF, 390 KB

english, 2009

57

Phase transition and thermodynamic properties of TiO 2 from first-principles calculations

Jing-Xin, Yu, Min, Fu, Guang-Fu, Ji, Xiang-Rong, Chen

Journal:

Chinese Physics B

Year:

2009

Language:

english

File:

PDF, 252 KB

english, 2009

58

Phase Transitions and Mechanical Properties of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine in Different Crystal Phases by Molecular Dynamics Simulation

Cui, Hong-Ling, Ji, Guang-Fu, Chen, Xiang-Rong, Zhang, Qing-Ming, Wei, Dong-Qing, Zhao, Feng

Journal:

Journal of Chemical & Engineering Data

Year:

2010

Language:

english

File:

PDF, 2.25 MB

english, 2010

59

Effect of water on gas explosions: combined ReaxFF and ab initio MD calculations

He, Zheng-Hua, Li, Xi-Bo, Zhu, Wen-Jun, Liu, Li-Min, Ji, Guang-Fu

Journal:

Year:

2014

Language:

english

File:

PDF, 1010 KB

english, 2014

60

The first principle studies of the structural and vibrational properties of solid β-HMX under compression

Lu, Lai-Yu, Wei, Dong-Qing, Chen, Xiang-Rong, Lian, Dan, Ji, Guang-Fu, Zhang, Qing-Ming, Gong, Zi-Zheng

Journal:

Molecular Physics

Year:

2008

Language:

english

File:

PDF, 1.05 MB

english, 2008

61

First-Principles Investigations on Structural, Phonon, and Thermodynamic Properties of Cubic\(\text {CeO}_{2}\)

Niu, Zhen-Wei, Cheng, Yan, Zhang, Huai-Yong, Ji, Guang-Fu

Journal:

International Journal of Thermophysics

Year:

2014

Language:

english

File:

PDF, 655 KB

english, 2014

62

Thermal decomposition of solid phase nitromethane under various heating rates and target temperatures based on ab initio molecular dynamics simulations

Xu, Kai, Wei, Dong-Qing, Chen, Xiang-Rong, Ji, Guang-Fu

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 4.05 MB

english, 2014

63

PHASE TRANSITION, ELASTIC AND THERMODYNAMIC PROPERTIES OF BERYLLIUM VIA FIRST PRINCIPLES

CHENG, YAN, CHEN, HAI-HUA, XUE, FAN-XIANG, JI, GUANG-FU, GONG, MIN

Journal:

International Journal of Modern Physics B

Year:

2013

Language:

english

File:

PDF, 331 KB

english, 2013

64

Ab initio studies on phase transition, thermoelastic, superconducting and thermodynamic properties of the compressed cubic phase of AlH3

Wei, Yong-Kai, Ge, Ni-Na, Chen, Xiang-Rong, Ji, Guang-Fu, Cai, Ling-Cang, Gu, Zhuo-Wei

Journal:

Journal of Applied Physics

Year:

2014

Language:

english

File:

PDF, 2.48 MB

english, 2014

65

The pressure-induced phase transition of the solid β–HMX

Lu, Lai-Yu, Wei, Dong-Qing, Chen, Xiang-Rong, Ji, Guang-Fu, Wang, Xi-Jun, Chang, Jing, Zhang, Qing-Ming, Gong, Zi-zheng

Journal:

Molecular Physics

Year:

2009

Language:

english

File:

PDF, 1.41 MB

english, 2009

66

Ab initio and molecular dynamics studies of solid β-HMX: effects of hydrostatic pressure and high temperature

Cui, Hong-Ling, Ji, Guang-Fu, Zhao, Ji-Jun, Zhao, Feng, Chen, Xiang-Rong, Zhang, Qing-Ming, Wei, Dong-Qing

Journal:

Molecular Simulation

Year:

2010

Language:

english

File:

PDF, 463 KB

english, 2010

67

Theoretical Study on Intermolecular Interactions of Methyl Azide Dimers

Xia, Qi-Ying, Xiao, He-Ming, Ju, Xue-Hai, Tan, Jin-Zhi, Gong, Xue-Dong, Ji, Guang-Fu

Journal:

Journal of the Chinese Chemical Society

Year:

2003

Language:

english

File:

PDF, 85 KB

english, 2003

68

PHASE TRANSITION AND THERMODYNAMIC PROPERTIES OF MAGNESIUM FLUORIDE BY FIRST PRINCIPLES

ZHANG, TIAN, CHENG, YAN, LV, ZHEN-LONG, JI, GUANG-FU, GONG, MIN

Journal:

International Journal of Modern Physics B

Year:

2014

Language:

english

File:

PDF, 581 KB

english, 2014

69

First-principles calculation of structural stability, lattice dynamic and thermodynamic properties of BeX (X = S, Se and Te) compounds under high pressure

Guo, Zhi-Cheng, Luo, Fen, Ji, Guang-Fu, Cai, Ling-Cang, Cheng, Yan

Journal:

Philosophical Magazine

Year:

2015

Language:

english

File:

PDF, 704 KB

english, 2015

70

Elastic and optical properties of CeO2 via first-principles calculations

Sun, Li-Li, Cheng, Yan, Ji, Guang-Fu

Journal:

The Journal of Atomic and Molecular Sciences

Year:

2010

Language:

english

File:

PDF, 1.43 MB

english, 2010

71

Adsorption Mechanism of Hydrogen on Boron-Doped Fullerenes

Liu-Min, Yu, Guo-Sheng, Shi, Zhi-Gang, Wang, Guang-Fu, Ji, Zhi-Peng, Lu

Journal:

Chinese Physics Letters

Year:

2009

Language:

english

File:

PDF, 1.29 MB

english, 2009

72

First-Principles Calculations of Structures and Electronic Properties of Solid Pentaerythritol under Pressure

Lai-Yu, Lu, Dong-Qing, Wei, Xiang-Rong, Chen, Guang-Fu, Ji

Journal:

Chinese Physics Letters

Year:

2008

Language:

english

File:

PDF, 1.22 MB

english, 2008

73

Phase Transition and Thermodynamics of Ruthenium Diboride via First-Principles Calculations

Fen, Luo, Yan, Cheng, Guang-Fu, Ji, Xiang-Rong, Chen

Journal:

Chinese Physics Letters

Year:

2009

Language:

english

File:

PDF, 1.35 MB

english, 2009

74

Shock Compression of the New 47Zr45Ti5Al3V Alloys up to 200 GPa

Zhang, Pin-Liang, Gong, Zi-Zheng, Ji, Guang-Fu, Wang, Qing-Song, Song, Zhen-Fei, Cao, Yan, Wang, Xiang

Journal:

Chinese Physics Letters

Year:

2013

Language:

english

File:

PDF, 1.52 MB

english, 2013

75

Theoretical Calculations of Mechanical, Electronic, and Chemical Bonding in CaN2, SrN2, and BaN2

Zhang, Li-Qin, Cheng, Yan, Niu, Zhen-Wei, Piao, Chang-Ge, Ji, Guang-Fu

Journal:

Zeitschrift für Naturforschung A

Year:

2014

Language:

english

File:

PDF, 454 KB

english, 2014

76

First-Principles Study of Orthorhombic Perovskites MgSiO 3 up to 120 GPa and Its Geophysical Implications

Li-Wei, Deng, Ji-Jun, Zhao, Guang-Fu, Ji, Zi-Zheng, Gong, Dong-Qing, Wei

Journal:

Chinese Physics Letters

Year:

2006

Language:

english

File:

PDF, 386 KB

english, 2006

77

First-principles calculations of elastic and electronic properties of NbB 2 under pressure

Li, Xiao-Feng, Ji, Guang-Fu, Zhao, Feng, Chen, Xiang-Rong, Alfè, Dario

Journal:

Journal of Physics Condensed Matter

Year:

2009

Language:

english

File:

PDF, 593 KB

english, 2009

78

First-Principles Investigations on Structural, Elastic, and Thermodynamic Properties of Ce-La Alloys Under High Pressure

Zhang, Li-Qin, Cheng, Yan, Niu, Zhen-Wei, Ji, Guang-Fu

Journal:

Zeitschrift für Naturforschung A

Year:

2014

Language:

english

File:

PDF, 254 KB

english, 2014

79

Physical properties of osmium dinitride with fluorite, pyrite, marcasite, and monoclinic structures under high pressure: First-principles study

Ge, Ni-Na, Wei, Yong-Kai, Tan, Jia-Jin, Ji, Guang-Fu, Cheng, Yan

Journal:

Canadian Journal of Physics

Year:

2015

File:

PDF, 4.12 MB

2015

80

A Coumarin-based Ratiometric Fluorescent Probe for N2H4 and Its Application in Living Cells

Wu, Guang-Fu, Li, Ming-Xin, Zhang, Yan, Ji, Wen-Gang, Wang, Qiang-Bin, Tong, Qing-Xiao

Journal:

Materials and Electronics Engineering

Year:

2014

Language:

english

File:

PDF, 956 KB

english, 2014

81

Extraordinary mechanical properties of monatomic C 3 N 2 chain

Xu, Kai, Wei, Dong-Qing, Wang, Zi-Yun, Lian, Peng, Huang, Lin, Chen, Xiang-Rong, Chen, Lang, Zhang, Qingming, Ji, Guang-Fu

Journal:

Molecular Simulation

Year:

2015

Language:

english

File:

PDF, 272 KB

english, 2015

82

Functional Polymorphisms in the Cyclooxygenase 2 (COX-2) Gene and Risk of Breast Cancer in a Chinese Population

Gao, Jun, Ke, Qiao, Ma, Hong-Xia, Wang, Yan, Zhou, Yan, Hu, Zhi-Bin, Zhai, Xiang-Jun, Wang, Xue-Chen, Qing, Jian-Wei, Chen, Wen-Sen, Jin, Guang-Fu, Liu, Ji-Yong, Tan, Yong-Fei, Wang, Xin-Ru, Shen, Hon

Journal:

Journal of Toxicology and Environmental Health

Year:

2007

Language:

english

File:

PDF, 74 KB

english, 2007

83

Dynamic Responses and Initial Decomposition under Shock Loading: A DFTB Calculation Combined with MSST Method for β-HMX with Molecular Vacancy

He, Zheng-Hua, Chen, Jun, Ji, Guang-Fu, Liu, Li-Min, Zhu, Wen-Jun, Wu, Qiang

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 3.98 MB

english, 2015

84

Ab Initio Calculations of Elastic Constants of Li 2 O under Pressure

Xiao-Feng, Li, Xiang-Rong, Chen, Guang-Fu, Ji, Chuan-Min, Meng

Journal:

Chinese Physics Letters

Year:

2006

Language:

english

File:

PDF, 233 KB

english, 2006

85

Pressure effect on electronic, elastic and optical properties of Eu:CaF 2 crystal: a first-principles study

Qi, Yuan-Yuan, Mu, Yi, Cheng, Yan, Ji, Guang-Fu

Journal:

Philosophical Magazine

Year:

2015

Language:

english

File:

PDF, 927 KB

english, 2015

86

First-Principles Study of Electronic, Elastic, and Optical Properties of Yb:CaF2 Crystals

Qi, Yuan-Yuan, Li, Zhi-Guo, Cheng, Yan, Chen, Xiang-Rong, Ji, Guang-Fu

Journal:

Zeitschrift für Naturforschung A

Year:

2015

Language:

english

File:

PDF, 2.00 MB

english, 2015

87

Structural, Electronic, Elastic and Thermal Properties of Li2AgSb: First-Principles Calculations

Li, Ji-Hong, Zhu, Xu-Hui, Cheng, Yan, Ji, Guang-Fu

Journal:

Zeitschrift für Naturforschung A

Year:

2015

Language:

english

File:

PDF, 1.36 MB

english, 2015

88

Theoretical studies of the structures and properties of (Br2InN3) n (n = 1–6) clusters

Xia, Qi-Ying, Ma, Deng-Xue, Li, Dong-Jiao, Li, Bao-Hui, Zhao, Wen-Wei, Ji, Guang-Fu

Journal:

Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 712 KB

english, 2015

89

First-principles study of structural, elastic, and electronic properties of CeB6under pressure

Tang, Mei, Liu, Lei, Cheng, Yan, Ji, Guang-Fu

Journal:

Frontiers of Physics

Year:

2015

Language:

english

File:

PDF, 525 KB

english, 2015

90

Lattice dynamics, phonon vibrational spectra, and thermal properties of tetragonal SrPt3P: a first-principles study

Zhang, Xiu-Qing, Zeng, Zhao-Yi, Cheng, Yan, Ji, Guang-Fu

Journal:

Year:

2016

Language:

english

File:

PDF, 845 KB

english, 2016

91

Electronic structure, phase transition, and elastic properties of ScC under high pressure

Zhao, Yu-Xin, Zhu, Jun, Hao, Yan-Jun, Li, Zi-Yuan, Chen, Long-Qing, Ji, Guang-Fu

Journal:

Journal of the Korean Physical Society

Year:

2015

Language:

english

File:

PDF, 925 KB

english, 2015

92

First principles study on the electronic, elastic and vibrational properties of marcasite-type OsP2

Lv, Zhen-Long, Cui, Hong-Ling, Wang, Hui, Ji, Guang-Fu

Journal:

Computational Materials Science

Year:

2016

Language:

english

File:

PDF, 1.71 MB

english, 2016

93

Microstructure and Mechanical Properties of Cr-SiC Particles-Reinforced Fe-Based Alloy Coating

Wang, Fu-cheng, Du, Xiao-dong, Zhan, Ma-ji, Lang, Jing-wei, Zhou, Dan, Liu, Guang-fu, Shen, Jian

Journal:

Journal of Materials Engineering and Performance

Year:

2015

Language:

english

File:

PDF, 2.45 MB

english, 2015

94

Electronic and elastic properties of BaLiF 3 with pressure effects: First-principles study

Lv, Zhen-Long, Cui, Hong-Ling, Wang, Hui, Li, Xiao-Hong, Ji, Guang-Fu

Journal:

physica status solidi (b)

Year:

2016

Language:

english

File:

PDF, 1.05 MB

english, 2016

95

Phase transition, elastic and electronic properties of topological insulator Sb 2 Te 3 under pressure: First principle study

Lu, Qing, Zhang, Huai-Yong, Cheng, Yan, Chen, Xiang-Rong, Ji, Guang-Fu

Journal:

Chinese Physics B

Year:

2016

Language:

english

File:

PDF, 1.05 MB

english, 2016

96

Pressure induced superconductivity and electronic structure properties of scandium hydrides using first principles calculations

Wei, Yong-Kai, Yuan, Jiao-Nan, Khan, Faez Iqbal, Ji, Guang-Fu, Gu, Zhuo-Wei, Wei, Dong-Qing

Journal:

Year:

2016

Language:

english

File:

PDF, 1.17 MB

english, 2016

97

Study of the vibrational, dielectric and infrared properties of CdSiP2 via first principles

Lv, Zhen-Long, Cui, Hong-Ling, Wang, Hui, Li, Xiao-Hong, Ji, Guang-Fu

Journal:

Solid State Communications

Year:

2016

Language:

english

File:

PDF, 696 KB

english, 2016

98

First-Principles Study of the Structural, Optical, Dynamical and Thermodynamic Properties of BaZn\(\hbox {O}_{2}\)Under Pressure

Wang, Yi-Xian, Hu, Cui-E, Chen, Yang-Mei, Cheng, Yan, Ji, Guang-Fu

Journal:

International Journal of Thermophysics

Year:

2016

Language:

english

File:

PDF, 1.29 MB

english, 2016

99

IgG Antibody Response Elicited by a Fully Synthetic Two-Component Carbohydrate-Based Cancer Vaccine Candidate with α-Galactosylceramide as Built-in Adjuvant

Yin, Xu-Guang, Chen, Xiang-Zhao, Sun, Wen-Mei, Geng, Xiao-Shan, Zhang, Xiao-Kang, Wang, Jian, Ji, Pan-Pan, Zhou, Zhong-Yin, Baek, Dong Jae, Yang, Guang-Fu, Liu, Zheng, Guo, Jun

Journal:

Organic Letters

Year:

2017

Language:

english

File:

PDF, 1.28 MB

english, 2017

100

Elastic, electronic and thermal properties of topological insulator SmB 6 : first-principles calculations

Li, Li, Hu, Cui-E, Tang, Mei, Cheng, Yan, Ji, Guang-Fu

Journal:

Philosophical Magazine

Year:

2017

Language:

english

File:

PDF, 1.31 MB

english, 2017