Lai W - 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: lai w. Molecules. 2023 Oct 31;28(21):7361. doi: 10.3390/molecules28217361. Molecules. 2023. PMID: 37959780 Free PMC article.

2

Accelerating Molecular Design of Cage Energetic Materials with Zero Oxygen Balance through Large-Scale Database Search.

Wen L, Yu T, Lai W, Shi J, Liu M, Liu Y, Wang B. Wen L, et al. Among authors: lai w. J Phys Chem Lett. 2021 Dec 2;12(47):11591-11597. doi: 10.1021/acs.jpclett.1c03728. Epub 2021 Nov 23. J Phys Chem Lett. 2021. PMID: 34812642

3

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

4

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

5

Roads to pentazolate anion: a theoretical insight.

Yu T, Ma YD, Lai WP, Liu YZ, Ge ZX, Ren G. Yu T, et al. R Soc Open Sci. 2018 May 23;5(5):172269. doi: 10.1098/rsos.172269. eCollection 2018 May. R Soc Open Sci. 2018. PMID: 29892410 Free PMC article.

6

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. Among authors: lai w. 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

7

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. Among authors: lai w. 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

8

Structural Rearrangement of Energetic Materials under an External Electric Field: A Case Study of Nitromethane.

Liu Y, Ma Y, Yu T, Lai W, Guo W, Ge Z, Ma Z. Liu Y, et al. Among authors: lai w. J Phys Chem A. 2018 Mar 1;122(8):2129-2134. doi: 10.1021/acs.jpca.7b11097. Epub 2018 Feb 21. J Phys Chem A. 2018. PMID: 29437398

9

Novel Random Forest Ensemble Modeling Strategy Combined with Quantitative Structure-Property Relationship for Density Prediction of Energetic Materials.

Li M, Lai W, Li R, Zhou J, Liu Y, Yu T, Zhang T, Tang H, Li H. Li M, et al. Among authors: lai w. ACS Omega. 2023 Jan 4;8(2):2752-2759. doi: 10.1021/acsomega.2c07436. eCollection 2023 Jan 17. ACS Omega. 2023. PMID: 36687054 Free PMC article.

10

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

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