Liu FS - Search Results

1

Pressure and temperature effects on the Raman spectra of LLM-105.

Yuan WS, Hong D, Luo YX, Li XH, Liu FS, Liu ZT, Liu QJ. Yuan WS, et al. Among authors: liu qj, liu zt, liu fs. Spectrochim Acta A Mol Biomol Spectrosc. 2023 Dec 15;303:123170. doi: 10.1016/j.saa.2023.123170. Epub 2023 Jul 18. Spectrochim Acta A Mol Biomol Spectrosc. 2023. PMID: 37517265

2

Influences of S, Se, Te and Po substitutions on structural, electronic and optical properties of hexagonal CuAlO2 using GGA and B3LYP functionals.

Liu QJ, Jiao Z, Liu FS, Liu ZT. Liu QJ, et al. Among authors: liu zt, liu fs. Phys Chem Chem Phys. 2016 Jun 7;18(21):14317-22. doi: 10.1039/c6cp02066f. Epub 2016 May 11. Phys Chem Chem Phys. 2016. PMID: 27168530

3

Effects of different dopant elements on structures, electronic properties, and sensitivity characteristics of nitromethane.

Zhong M, Qin H, Liu QJ, Jiang CL, Zhao F, Shang HL, Liu FS, Tang B. Zhong M, et al. Among authors: liu qj, liu fs. J Mol Model. 2018 Sep 25;24(10):295. doi: 10.1007/s00894-018-3832-3. J Mol Model. 2018. PMID: 30255243

4

Influences of pressure on structural and electronic properties of four types of HMX.

Qin H, Shi MF, Feng ZJ, Zhang PF, Guo X, Chen XY, Liu FS, Tang B, Liu QJ. Qin H, et al. Among authors: liu qj, liu fs. J Mol Model. 2019 Feb 13;25(3):63. doi: 10.1007/s00894-019-3947-1. J Mol Model. 2019. PMID: 30756186

5

A systematic study of the surface structures and energetics of CH₃NO₂ surfaces by first-principles calculations.

Zhong M, Qin H, Liu QJ, Jiang CL, Zhao F, Shang HL, Liu FS, Tang B. Zhong M, et al. Among authors: liu qj, liu fs. J Mol Model. 2019 May 17;25(6):164. doi: 10.1007/s00894-019-4061-0. J Mol Model. 2019. PMID: 31101992

6

A comparative study of the vibrational and thermodynamic properties of α-RDX and γ-RDX under ambient conditions.

Zhu SH, Qin H, Zeng W, Cai YM, Jin XY, Wang YH, Liu FS, Tang B, Liu QJ. Zhu SH, et al. Among authors: liu qj, liu fs. J Mol Model. 2019 Jun 7;25(7):182. doi: 10.1007/s00894-019-4058-8. J Mol Model. 2019. PMID: 31175440

7

A new criterion for the prediction of solid-state phase transition in TMDs.

Zhu SH , Yan BL , Zeng W , Fan DH , Tang B , Liu FS , Liu X , Qin H , Liu QJ . Zhu SH , et al. Among authors: liu x, liu qj, liu fs. Phys Chem Chem Phys. 2019 Nov 7;21(43):24070-24076. doi: 10.1039/c9cp03915e. Phys Chem Chem Phys. 2019. PMID: 31650994

8

First-principle calculations of electronic, vibrational, and thermodynamic properties of 1,3-diamino-2,4,6-trinitrobenzene.

Liu WH, Zeng W, Qin H, Jiang CL, Liu FS, Tang B, Lei YX, Liu QJ. Liu WH, et al. Among authors: liu qj, liu fs. J Mol Model. 2019 Nov 25;25(12):356. doi: 10.1007/s00894-019-4249-3. J Mol Model. 2019. PMID: 31768652

9

Judging the phase transition pressure of the unknown parent phase if the resulting state is known.

Zhu SH , Qin H , Zeng W , Fan DH , Tang B , Liu FS , Liu QJ . Zhu SH , et al. Among authors: liu qj, liu fs. Phys Chem Chem Phys. 2020 Jan 2;22(2):624-627. doi: 10.1039/c9cp05985g. Phys Chem Chem Phys. 2020. PMID: 31822870

10

Vibrational, thermodynamic, and dielectric properties of ε-CL-20: first-principles calculations.

Hong D, Zeng W, Qin H, Jiang CL, Liu FS, Tang B, Liu QJ. Hong D, et al. Among authors: liu qj, liu fs. J Mol Model. 2020 Feb 4;26(3):47. doi: 10.1007/s00894-020-4311-1. J Mol Model. 2020. PMID: 32020344

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