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Items: 19

1.

Molecular Simulation Studies on the Interactions of 2,4,6-Trinitrotoluene and Its Metabolites with Lipid Membranes.

Yang H, Li H, Liu L, Zhou Y, Long X.

J Phys Chem B. 2019 Aug 1;123(30):6481-6491. doi: 10.1021/acs.jpcb.9b03033. Epub 2019 Jul 23.

PMID:
31282676
2.

Performance of cavitation flow and its induced noise of different jet pump cavitation reactors.

Wang J, Cheng H, Xu S, Ji B, Long X.

Ultrason Sonochem. 2019 Jul;55:322-331. doi: 10.1016/j.ultsonch.2019.01.011. Epub 2019 Jan 14.

PMID:
30686600
3.

The Safety Properties of a Potential Kind of Novel Green Primary Explosive: Al/Fe₂O₃/RDX Nanocomposite.

Luo Q, Long X, Nie F, Liu G, Zhu M.

Materials (Basel). 2018 Oct 10;11(10). pii: E1930. doi: 10.3390/ma11101930.

4.

Self-assembly of single-wall carbon nanotubes during the cooling process of hot carbon gas.

Wen Y, Zheng K, Long X, Li M, Xue X, Dai X, Deng C.

J Mol Model. 2018 Apr 25;24(5):115. doi: 10.1007/s00894-018-3655-2.

PMID:
29696379
5.

Experimental Investigation of Mechanical Properties of Black Shales after CO₂-Water-Rock Interaction.

Lyu Q, Ranjith PG, Long X, Ji B.

Materials (Basel). 2016 Aug 6;9(8). pii: E663. doi: 10.3390/ma9080663.

6.

Insight into electrostatic initiation of nitramine explosives.

Tan B, Li Z, Guo X, Li J, Han Y, Long X.

J Mol Model. 2017 Jan;23(1):10. Epub 2016 Dec 16.

PMID:
27987108
7.

Influence of N-Oxide Introduction on the Stability of Nitrogen-Rich Heteroaromatic Rings: A Quantum Chemical Study.

Yuan J, Long X, Zhang C.

J Phys Chem A. 2016 Dec 1;120(47):9446-9457. Epub 2016 Nov 21.

PMID:
27934328
8.

Cluster Evolution at Early Stages of 1,3,5-Triamino-2,4,6-trinitrobenzene under Various Heating Conditions: A Molecular Reactive Force Field Study.

Wen Y, Xue X, Long X, Zhang C.

J Phys Chem A. 2016 Jun 9;120(22):3929-37. doi: 10.1021/acs.jpca.6b03795. Epub 2016 May 26.

PMID:
27182789
9.

Computational assessment of several hydrogen-free high energy compounds.

Tan B, Huang M, Long X, Li J, Fan G.

J Mol Graph Model. 2016 Jan;63:85-90. doi: 10.1016/j.jmgm.2015.11.002. Epub 2015 Nov 12.

PMID:
26705845
10.
11.

Insight into shock-induced chemical reaction from the perspective of ring strain and rotation of chemical bonds.

Tan B, Long X, Li J, Nie F, Huang J.

J Mol Model. 2012 Dec;18(12):5127-32. doi: 10.1007/s00894-012-1516-y. Epub 2012 Jul 10.

PMID:
22777429
12.

Are amino groups advantageous to insensitive high explosives (IHEs)?

Cao X, Wen Y, Xiang B, Long X, Zhang C.

J Mol Model. 2012 Oct;18(10):4729-38. doi: 10.1007/s00894-012-1473-5. Epub 2012 Jun 3.

PMID:
22660963
13.

On the shock sensitivity of explosive compounds with small-scale gap test.

Tan B, Long X, Peng R, Li H, Jin B, Chu S.

J Phys Chem A. 2011 Sep 29;115(38):10610-6. doi: 10.1021/jp204814f. Epub 2011 Sep 8.

PMID:
21861469
14.

An important factor in relation to shock-induced chemistry: resonance energy.

Tan B, Peng R, Long X, Li H, Jin B, Chu S.

J Mol Model. 2012 Feb;18(2):583-9. doi: 10.1007/s00894-011-1096-2. Epub 2011 May 6.

PMID:
21547547
15.

Theoretical study on the diffusive transport of 2,4,6-trinitrotoluene in polymer-bonded explosive.

Zhou Y, Long X, Wei X.

J Mol Model. 2011 Nov;17(11):3015-9. doi: 10.1007/s00894-011-0977-8. Epub 2011 Mar 1.

PMID:
21360179
16.

Two important factors influencing shock sensitivity of nitro compounds: Bond dissociation energy of X-NO2 (X = C, N, O) and Mulliken charges of nitro group.

Tan B, Long X, Peng R, Li H, Jin B, Chu S, Dong H.

J Hazard Mater. 2010 Nov 15;183(1-3):908-12. doi: 10.1016/j.jhazmat.2010.07.115. Epub 2010 Aug 6.

PMID:
20800351
17.

Theoretical investigation of an energetic fullerene derivative.

Tan B, Peng R, Li H, Jin B, Chu S, Long X.

J Comput Chem. 2010 Sep;31(12):2233-7. doi: 10.1002/jcc.21489.

PMID:
20575012
18.

The studies on the aromaticity of fullerenes and their holmium endohedral compounds.

Tan B, Peng R, Li H, Wang B, Jin B, Chu S, Long X.

J Mol Model. 2011 Feb;17(2):275-9. doi: 10.1007/s00894-010-0719-3. Epub 2010 May 5.

PMID:
20443036
19.

Theoretical studies on the heats of formation, densities, and detonation properties of substituted s-tetrazine compounds.

Zhou Y, Long X, Shu Y.

J Mol Model. 2010 May;16(5):1021-7. doi: 10.1007/s00894-009-0605-z. Epub 2009 Nov 13.

PMID:
19911205

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