Ju XH - Search Results

1

Nitrogen-rich polycyclic pentazolate salts as promising energetic materials: theoretical investigating.

Wang HR, Zhang C, Sun CG, Hu BC, Ju XH. Wang HR, et al. Among authors: ju xh. J Mol Model. 2022 Sep 6;28(10):299. doi: 10.1007/s00894-022-05128-5. J Mol Model. 2022. PMID: 36066673

2

DFT study on the bromination pattern dependence of electronic properties and their validity in quantitative structure-activity relationships of polybrominated diphenyl ethers.

Gu CG, Ju XH, Jiang X, Wang F, Yang SG, Sun C. Gu CG, et al. Among authors: ju xh. SAR QSAR Environ Res. 2009;20(3-4):287-307. doi: 10.1080/10629360902949468. SAR QSAR Environ Res. 2009. PMID: 19544193

3

DFT studies of the adsorption and dissociation of H₂O on the Al₁₃ cluster: origins of this reactivity and the mechanism for H₂ release.

Zhao JY, Zhao FQ, Gao HX, Ju XH. Zhao JY, et al. Among authors: ju xh. J Mol Model. 2013 Apr;19(4):1789-99. doi: 10.1007/s00894-012-1730-7. Epub 2013 Jan 12. J Mol Model. 2013. PMID: 23306810

4

Adsorption and decomposition mechanism of hexogen (RDX) on Al(111) surface by periodic DFT calculations.

Ye CC, Zhao FQ, Xu SY, Ju XH. Ye CC, et al. Among authors: ju xh. J Mol Model. 2013 Jun;19(6):2451-8. doi: 10.1007/s00894-013-1796-x. Epub 2013 Feb 24. J Mol Model. 2013. PMID: 23435519

5

A DFT study of adsorption and decomposition of hexahydro-1,3,5-trinitro-1,3,5-triazine on Mg(0001) surface.

Ye CC, Zhao FQ, Xu SY, Ju XH. Ye CC, et al. Among authors: ju xh. J Mol Model. 2013 Oct;19(10):4459-65. doi: 10.1007/s00894-013-1942-5. Epub 2013 Aug 9. J Mol Model. 2013. PMID: 23929413

6

Easy methods to study the smart energetic TNT/CL-20 co-crystal.

Li H, Shu Y, Gao S, Chen L, Ma Q, Ju X. Li H, et al. J Mol Model. 2013 Nov;19(11):4909-17. doi: 10.1007/s00894-013-1988-4. Epub 2013 Sep 17. J Mol Model. 2013. PMID: 24043545

7

Theoretical investigations on charge-transfer properties of pentacenequinone derivatives as n-type organic semiconductors.

Yin J, Hu Y, Ju XH. Yin J, et al. Among authors: ju xh. J Mol Model. 2014 Oct;20(10):2460. doi: 10.1007/s00894-014-2460-9. Epub 2014 Sep 16. J Mol Model. 2014. PMID: 25220336

8

Density functional study of H2O molecule adsorption on α-U(001) surface.

Huang S, Zeng XL, Zhao FQ, Ju X. Huang S, et al. J Mol Model. 2016 Apr;22(4):88. doi: 10.1007/s00894-016-2956-6. Epub 2016 Mar 19. J Mol Model. 2016. PMID: 26994022

9

Theoretical study on p-type D-π-A sensitizers with modified π-spacers for dye-sensitized solar cells.

Yan W, Chaitanya K, Sun ZD, Ju XH. Yan W, et al. Among authors: ju xh. J Mol Model. 2018 Feb 24;24(3):68. doi: 10.1007/s00894-018-3596-9. J Mol Model. 2018. PMID: 29478151

10

Theoretical design of novel energetic salts derived from bicyclo-HMX.

Zhang C, Zhao FQ, Xu SY, Ju XH. Zhang C, et al. Among authors: ju xh. J Mol Model. 2018 Oct 2;24(10):304. doi: 10.1007/s00894-018-3835-0. J Mol Model. 2018. PMID: 30280266

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