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1

Theoretical investigations on structure, density, detonation properties, and sensitivity of the derivatives of PYX

Hui Liu, Fang Wang, Gui-Xiang Wang, Xue-Dong Gong

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 1.08 MB

english, 2012

2

Theoretical Study on the Vibrational Spectra and Thermodynamic Properties for Nitro Derivatives of Benzene and Anilines

Gui-Xiang WANG, Xue-Dong GONG, He-Ming XIAO

Journal:

Chinese Journal of Chemistry

Year:

2008

Language:

english

File:

PDF, 144 KB

english, 2008

3

Origins of salt-formation and co-crystallization: a combined experimental and theoretical study

Yang, Junqing, Yin, Lei, Gong, Xue-Dong, Zhang, Jian-Guo, Sinditskii, Valery P.

Journal:

Crystal Growth & Design

Year:

2020

File:

PDF, 1021 KB

2020

4

Structural Investigation of Technetium-Diphosphonate Complex 99m Tc-MDP

Qiu, Ling, Lin, Jian-guo, Ju, Xue-hai, Gong, Xue-dong, Luo, Shi-neng

Journal:

Chinese Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 687 KB

english, 2011

5

Magnetic properties of substituted R2(Fe, Al, Co)14B compounds

Ying Yang, James, W., Xue-dong Li, Hai-ying Chen, Li-gong Xu

Journal:

IEEE Transactions on Magnetics

Year:

1986

Language:

english

File:

PDF, 390 KB

english, 1986

6

Molecular Dynamics Simulation on Scale Inhibition Mechanism of Polyepoxysuccinic Acid to Calcium Sulphate

Zeng, Jian-ping, Wang, Feng-he, Zhou, Chen, Gong, Xue-dong

Journal:

Chinese Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.12 MB

english, 2012

7

Theoretical Study on the High Energy Density Compound Hexanitrohexaazatricyclotetradecanedifuroxan

Ling Qiu, He-Ming Xiao, Wei-Hua Zhu, Xue-Hai Xiao, Xue-Dong Gong

Journal:

Chinese Journal of Chemistry

Year:

2006

Language:

english

File:

PDF, 127 KB

english, 2006

8

Quantitative structure–activity relationships of nitroaromatics toxicity to the algae (Scenedesmus obliguus)

Xiu-Fen Yan, He-Ming Xiao, Xue-Dong Gong, Xue-Hai Ju

Journal:

Year:

2005

Language:

english

File:

PDF, 109 KB

english, 2005

9

DFT Studies on a High Energy Density Cage Compound 4-Trinitroethyl-2,6,8,10,12-pentanitrohezaazaisowurtzitane

Zhang, Jian-ying, Du, Hong-chen, Wang, Fang, Gong, Xue-dong, Huang, Yin-sheng

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.83 MB

english, 2011

10

The effect of nitro groups on the structures and energetic properties of the derivatives composed of TATB and cubane

Zhang, Jian-ying, Gong, Xue-dong

Journal:

Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 715 KB

english, 2017

11

Effect of temperature on the adsorption of sulfanilamide onto aluminum oxide and its molecular dynamics simulations

Ji, Ying-xue, Wang, Feng-he, Duan, Lun-chao, Zhang, Fan, Gong, Xue-dong

Journal:

Applied Surface Science

Year:

2013

Language:

english

File:

PDF, 976 KB

english, 2013

12

Comparison of Ethene Diffusion Characteristics in H[Al]ZSM-5 at 300 K and 400 K by Molecular Dynamics

Jtan-Fen Fan, Qi-Ying Xia, Xue-Dong Gong, He-Ming Xiao

Journal:

Chinese Journal of Chemistry

Year:

2001

Language:

english

File:

PDF, 475 KB

english, 2001

13

Substituent Effect on the Structure and Biological Property of 99m Tc-Labeled Diphosphonates: Theoretical Studies

Qiu, Ling, Lin, Jian-Guo, Gong, Xue-Dong, Cheng, Wen, Luo, Shi-Neng

Journal:

Bulletin of the Korean Chemical Society

Year:

2012

Language:

english

File:

PDF, 399 KB

english, 2012

14

Comparative theoretical studies of substituted bridged bipyridines and their N-oxides

Hui Liu, Xue-Dong Gong

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 521 KB

english, 2013

15

Design of Zero Oxygen Balance Energetic Materials on a Ba-sis of Diels-Alder Chemistry

Yang, Junqing, Gong, Xue-Dong, Mei, Haozheng, Li, Tong, Zhang, Jianguo, Gozin, Michael

Journal:

Journal of Organic Chemistry

Year:

2018

Language:

english

File:

PDF, 374 KB

english, 2018

16

Comparative Theoretical Studies of Energetic Azo s-Triazines

Wang, Fang, Du, Hong-chen, Zhang, Jian-ying, Gong, Xue-dong

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 989 KB

english, 2011

17

Density functional theory study of high-pressure effect on crystalline 4,4′,6,6′-tetra(azido)hydrazo-1,3,5-triazine

Fang Wang, Hong-Chen Du, Hui Liu, Xue-Dong Gong

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 3.56 MB

english, 2012

18

DFT study of dimethylaluminum azide clusters: Structures, energies, frequencies and thermodynamic properties

Qi-Ying Xia, He-Ming Xiao, Xue-Hai Ju, Xue-Dong Gong

Journal:

Chinese Journal of Chemistry

Year:

2004

Language:

english

File:

PDF, 374 KB

english, 2004

19

A theoretical study on the vibrational spectra and thermodynamic properties for the nitro derivatives of phenols

Gui-xiang Wang, Xue-dong Gong, Yan Liu, He-ming Xiao

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2009

Language:

english

File:

PDF, 737 KB

english, 2009

20

Triatomic wake effect and the determination of the molecular structure of HD 2+ from the Coulomb explosion

Zhou-Sen, Zhu, Jing-Wei, Miao, Xue-Hua, Liao, Lei, Miao, Xue-Dong, Yuan, Mian-Gong, Shi

Journal:

Chinese Physics B

Year:

2009

Language:

english

File:

PDF, 249 KB

english, 2009

21

DENSITY FUNCTIONAL THEORY STUDY OF THE INTERACTION BETWEEN 3-NITRO-1,2,4-TRIAZOLE-5-ONE AND WATER

FANG, GUO-YONG, XU, LI-NA, HU, XIN-GEN, LI, XIN-HUA, XIAO, HE-MING, JU, XUE-HAI, GONG, XUE-DONG

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2005

Language:

english

File:

PDF, 145 KB

english, 2005

22

DFT studies toward the design and properties of high-energy density hydrocarbon fuel

Li-Mei Qiu, Dan-Yang Ye, Wei Wei, Ke-Hai Chen, Jun-Xian Hou, Jian Zheng, Xue-Dong Gong, He-Ming Xiao

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 392 KB

english, 2008

23

Molecular dynamics simulation of the interaction between polyaspartic acid and calcium carbonate

Zeng, Jian-Ping, Wang, Feng-He, Gong, Xue-Dong

Journal:

Molecular Simulation

Year:

2013

Language:

english

File:

PDF, 1.14 MB

english, 2013

24

A THEORETICAL STUDY ON THE INFRARED SPECTRA, THERMODYNAMIC FUNCTIONS, AND DETONATION PARAMETERS FOR THE –CN, –NC, –NNO 2 and –ONO 2 DERIVATIVES OF HNS

WANG, GUI-XIANG, GONG, XUE-DONG, LIU, YAN, XIAO, HE-MING

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 287 KB

english, 2013

25

Molecular Dynamics Study of Interaction between Acrylamide Copolymers and Alumina Crystal

Wang, Feng-he, Wang, Feng-yun, Gong, Xue-dong

Journal:

Chinese Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 4.49 MB

english, 2012

26

Ab initio Study on the Intermolecular Interaction and Thermodynamic Properties of Methyl Nitrate Dimer

Jin-Zhi Tan, He-Ming Xiao, Xue-Dong Gong, Jin-Shan Li

Journal:

Chinese Journal of Chemistry

Year:

2001

Language:

english

File:

PDF, 398 KB

english, 2001

27

A theoretical study on the structure and properties of DPO (2,5-dipicryl-1,3,4-oxadiazole)

Gui-xiang Wang, Chun-hong Shi, Xue-dong Gong, He-ming Xiao

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 296 KB

english, 2008

28

Theoretical studies on 2-(5-amino-3-nitro-1,2,4-triazolyl)-3,5-dinitropyridine (PRAN) and its derivatives

Hui Liu, Fang Wang, Gui-Xiang Wang, Xue-Dong Gong

Journal:

Journal of Physical Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 531 KB

english, 2012

29

Looking for high energy density compounds applicable for propellant among the derivatives of dpo with n3, ono2, and nno2 groups

Gui-Xiang Wang, Xue-Dong Gong, Yan Liu, Hong-Chen Du, Xiao-Juan Xu, He-Ming Xiao

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 197 KB

english, 2011

30

Theoretical investigations of a high density cage compound 10-(1-nitro-1, 2, 3, 4-tetraazol-5-yl)) methyl-2, 4, 6, 8, 12-hexanitrohexaazaisowurtzitane

Jian-ying Zhang, Hong-chen Du, Fang Wang, Xue-dong Gong, Yin-sheng Huang

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 257 KB

english, 2012

31

Prediction of crystalline densities of polynitro arenes for estimation of their detonation performance based on quantum chemistry

Gui-xiang Wang, Xue-dong Gong, Yan Liu, Hong-chen Du, He-ming Xiao

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 311 KB

english, 2010

32

Crystal structure, detonation performance, and thermal stability of a new polynitro cage compound: 2, 4, 6, 8, 10, 12, 13, 14, 15-nonanitro-2, 4, 6, 8, 10, 12, 13, 14, 15-nonaazaheptacyclo [5.5.1.13, 11. 15, 9] pentadecane

Jian-ying Zhang, Hong-chen Du, Fang Wang, Xue-dong Gong, San-jiu Ying

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 429 KB

english, 2012

33

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

34

Ion source effect on the bond length of 4HeH+

M. Jing-wei, W. Hu, Z. Zhou-son, Y. Chao-wen, S. Mian-gong, T. A-you, M. Lei, X. Zu-run, Y. Xue-dong, L. Xiao-dong, Y. Bei-fang

Year:

2005

Language:

english

File:

PDF, 244 KB

english, 2005

35

Preparation and Evaluation of a C18-Sulfonic Group Dual Modification Chromatographic Stationary Phase

TANG, Tao, ZHANG, Wei-Bing, XU, Ji-Wei, XIA, Ming-Zhu, GONG, Xue-Dong, WANG, Feng-Yun, LI, Tong

Journal:

Chinese Journal of Analytical Chemistry

Year:

2017

Language:

english

File:

PDF, 672 KB

english, 2017

36

A theoretical study on the structures, thermodynamic properties and detonation performances of azidamines

Wang, Fang, Du, Hong-Chen, Zhang, Jian-Ying, Gong, Xue-Dong

Journal:

Molecular Simulation

Year:

2011

Language:

english

File:

PDF, 1.31 MB

english, 2011

37

Theoretical Investigation on Structures, Densities, Detonation Properties, and the Pyrolysis Mechanism of the Derivatives of HNS

Gui-xiang, Wang, Chun-hong, Shi, Xue-dong, Gong, He-ming, Xiao

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 449 KB

english, 2009

38

Computational characterization of 2, 4, 6, 8, 10, 12, 13-heptaazatetracyclo [5.5.1.03,11.05,9]tridecanes as potential energetic compounds

Jian-ying Zhang, Fang Wang, Xue-dong Gong

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 551 KB

english, 2013

39

Ab initio studies on the structures and thermodynamic functions of phenanthrene and anthracene

Xue-Dong Gong, He-Ming Xiao

Journal:

Journal of Physical Organic Chemistry

Year:

1999

Language:

english

File:

PDF, 67 KB

english, 1999

40

Theoretical Studies on Thermolysis Mechanism and Stability of trans-1,4,5,8-Tetranitro-1,4,5,8-tetraazadecalin Isomers

Ling QIU, Xue-Dong GONG, He-Ming XIAO

Journal:

Chinese Journal of Chemistry

Year:

2008

Language:

english

File:

PDF, 103 KB

english, 2008

41

Computer simulations and analysis of structural and energetic features of crystalline cage energetic compound: 2, 4, 6, 8, 12-pentanitro-10-(3, 5, 6-trinitro (2-pyridyl))-2, 4, 6, 8, 12-hexaazatetracyclo [5.5.0.0 3,11 .0 5,9 ]dodecane

Zhang, Jian-ying, Gong, Xue-dong

Journal:

Journal of Physical Organic Chemistry

Year:

2015

Language:

english

File:

PDF, 1.67 MB

english, 2015

42

DFT Study on the QSAR of Nitroaromatic Compound Toxicity to the Fathead Minnow

Yan Xiu-Fen, Xiao He-Ming, Ju Xue-Hai, Gong Xue-Dong

Journal:

Chinese Journal of Chemistry

Year:

2005

Language:

english

File:

PDF, 60 KB

english, 2005

43

Theoretical Prediction of Properties of Aliphatic Polynitrates

Wang, Gui-xiang, Gong, Xue-dong, Du, Hong-chen, Liu, Yan, Xiao, He-ming

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.70 MB

english, 2011

44

A comparison of semiempirical and first principle methods for establishing toxicological QSARs of nitroaromatics

Xiu-Fen Yan, He-Ming Xiao, Xue-Dong Gong, Xue-Hai Ju

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 130 KB

english, 2006

45

Computational Studies on Polynitrohexaazaadmantanes as Potential High Energy Density Materials

Xu, Xiao-Juan, Xiao, He-Ming, Ju, Xue-Hai, Gong, Xue-Dong, Zhu, Wei-Hua

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 92 KB

english, 2006

46

Efficient production of glutathione using hydrolyzate of banana peel as novel substrate

Xue-Dong Chen, Gong-Yuan Wei, Jun-Li Zhang, Ying-Ying Dong

Journal:

Korean Journal of Chemical Engineering

Year:

2011

Language:

english

File:

PDF, 365 KB

english, 2011

47

A theoretical study on the reaction mechanism of O2with C4H9• radical

Hong-chen Du, Xue-dong Gong

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 342 KB

english, 2012

48

Theoretical studies of -NH2and -NO2substituted dipyridines

Hui Liu, Fang Wang, Gui-Xiang Wang, Xue-Dong Gong

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 278 KB

english, 2012

49

Methylprednisolone treatment fails to protect mice from the H5N1 influenza A virus-induced proinflammatory response and mortality

Pu, Lin, Jiang, Tao, Liu, Jing-Yuan, Deng, Yong-Qiang, Wang, Peng, Nian, Qing-Gong, Yu, Xue-Dong, Zhu, Shun-Ya, Zhang, Yong-Li, Qin, Cheng-Feng

Journal:

Journal of Infection

Year:

2014

Language:

english

File:

PDF, 353 KB

english, 2014

50

Synthesis and biological evaluation of benzothiazol-based 1,3,4-oxadiazole derivatives as amyloid β-targeted compounds against Alzheimer’s disease

Mei, Wen-wen, Ji, Sha-sha, Xiao, Wei, Wang, Xue-dong, Jiang, Cheng-shi, Ma, Wen-quan, Zhang, Hai-yan, Gong, Jing-xu, Guo, Yue-wei

Journal:

Monatshefte für Chemie - Chemical Monthly

Year:

2017

Language:

english

File:

PDF, 587 KB

english, 2017

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