Liu Y - Search Results

1

Accelerating the Design of High-Energy-Density Hydrocarbon Fuels by Learning from the Data.

Wen L, Shan S, Lai W, Shi J, Li M, Liu Y, Liu M, Zhou Z. Wen L, et al. Among authors: liu y, liu m. Molecules. 2023 Oct 31;28(21):7361. doi: 10.3390/molecules28217361. Molecules. 2023. PMID: 37959780 Free PMC article.

2

Theoretical study on the structure and stability of [1,2,5] oxadiazolo [3,4-e] [1,2,3,4]-tetrazine-4,6-Di-N-dioxide (FTDO).

Lai WP, Lian P, Yu T, Bu JH, Liu YZ, Zhu WL, Lv J, GE ZX. Lai WP, et al. J Mol Model. 2014 Jul;20(7):2343. doi: 10.1007/s00894-014-2343-0. Epub 2014 Jul 1. J Mol Model. 2014. PMID: 24980985

3

Structural characteristics of liquid nitromethane at the nanoscale confinement in carbon nanotubes.

Liu Y, Lai W, Yu T, Ge Z, Kang Y. Liu Y, et al. J Mol Model. 2014 Oct;20(10):2459. doi: 10.1007/s00894-014-2459-2. Epub 2014 Sep 18. J Mol Model. 2014. PMID: 25231245

4

Design and theoretical study of 15 novel high energy density compounds.

Lai WP, Lian P, Liu YZ, Yu T, Zhu WL, Ge ZX, Lv J. Lai WP, et al. J Mol Model. 2014 Nov;20(11):2479. doi: 10.1007/s00894-014-2479-y. Epub 2014 Oct 19. J Mol Model. 2014. PMID: 25326063

5

Ordered and layered structure of liquid nitromethane within a graphene bilayer: toward stabilization of energetic materials through nanoscale confinement.

Liu Y, Yu T, Lai W, Kang Y, Ge Z. Liu Y, et al. J Mol Model. 2015 Mar;21(3):40. doi: 10.1007/s00894-015-2588-2. Epub 2015 Feb 13. J Mol Model. 2015. PMID: 25672840

6

Interactions of carbon nanotubes with the nitromethane-water mixture governing selective adsorption of energetic molecules from aqueous solution.

Liu Y, Lai W, Yu T, Kang Y, Ge Z. Liu Y, et al. Phys Chem Chem Phys. 2015 Mar 14;17(10):6995-7001. doi: 10.1039/c4cp05909c. Phys Chem Chem Phys. 2015. PMID: 25684688

7

Theoretical study of the effect of N-oxides on the performances of energetic compounds.

Lai WP, Lian P, Ge ZX, Liu YZ, Yu T, Lv J. Lai WP, et al. J Mol Model. 2016 Apr;22(4):83. doi: 10.1007/s00894-016-2951-y. Epub 2016 Mar 17. J Mol Model. 2016. PMID: 26983612

8

Adsorption behavior of acetone solvent at the HMX crystal faces: A molecular dynamics study.

Liu Y, Yu T, Lai W, Ma Y, Kang Y, Ge Z. Liu Y, et al. J Mol Graph Model. 2017 Jun;74:38-43. doi: 10.1016/j.jmgm.2017.03.004. Epub 2017 Mar 10. J Mol Graph Model. 2017. PMID: 28349878

9

Face-Dependent Solvent Adsorption: A Comparative Study on the Interfaces of HMX Crystal with Three Solvents.

Liu Y, Lai W, Ma Y, Yu T, Kang Y, Ge Z. Liu Y, et al. J Phys Chem B. 2017 Jul 27;121(29):7140-7146. doi: 10.1021/acs.jpcb.7b04470. Epub 2017 Jul 19. J Phys Chem B. 2017. PMID: 28696111

10

Study on the computer-aided design of high energetic compounds based on the 1,2,3,4-tetrazine-1,3-dioxide frame.

Lai WP, Yu T, Liu YZ, Ma YD, Lian P, Ge ZX, Lv J. Lai WP, et al. J Mol Model. 2017 Nov 9;23(12):340. doi: 10.1007/s00894-017-3507-5. J Mol Model. 2017. PMID: 29124479

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