Showing results (1-10 of 12) with videos related to
Sort By:
Pageof 2
Physical Chemistry Chemical Physics : PCCP|July 15, 2025
A 3D-DEM study on influencing factors of ignition, combustion, and detonation of single HMX particles with voidsJing Liu, Zhi-Xin Bai, Fu-Sheng Liu, et al.Journal of Molecular Modeling|May 13, 2025
First-principles calculations of structural, mechanical and electronic properties of erythritol tetranitrate, 2,4-dinitro- 1H-imidazole, 5-amino- 3,4-dinitro- 1H-pyrazole, 1,1'-dinitro- 3,3'-azo- 1,2,4-triazole, 1-(4-Nitro- 1H-pyrazol- 3-yl)- 1H-tetrazole and ammonium dinitroguanidineRuo-Tong Wu, Hong-Yan Li, Zheng-Tang Liu, et al.Journal of Molecular Modeling|April 19, 2024
Study of the relationship between pressure and sensitivity of energetic materials based on first-principles calculationXue-Ni Guo, Xiang-Hui Chang, Zhi-Xin Bai, et al.Journal of Molecular Modeling|April 1, 2024
The calculated electronic and optical properties of β-Ga<sub>2</sub>O<sub>3</sub> based on the first principlesYan-Ru Wang, Zhi-Xin Bai, Qi-Jun Liu, et al.Journal of Molecular Modeling|March 25, 2026
The nucleation and surface properties of lithium carbonate were explored based on first-principles methodsMeng-Xiang Wang, Jia-Xin Xu, Zhi-Xin Bai, et al.Physical Chemistry Chemical Physics : PCCP|October 6, 2023
Theoretical study on the correlation between the structure, excess energy, surface energy, electronic structure, nitro charge, and friction sensitivity of <i>N</i>,<i>N</i>'-dinitroethylenediamine (EDNA)Hong-Yan Li, Yun-Dan Gan, Fu-Sheng Liu, et al.Journal of Forensic and Legal Medicine|February 7, 2025
Study on forensic diagnostic biomarker combination for acute ischemia heart disease based on postmortem biochemistryXing-Yu Ma, Tian-Qi Wang, Ke-Shuang Tang, et al.Journal of Molecular Modeling|July 19, 2020
Effects of molecular vacancy and ethylenediamine on structural and electronic properties of CH<sub>3</sub>NO<sub>2</sub> surfacesZhi-Xin Bai, Wei Zeng, Bin Tang, et al.Journal of Molecular Modeling|January 18, 2023
Effects of pressure on structural, electronic, optical, and mechanical properties of nitrogen-rich energetic material: 6-azido-8-nitrotetrazolo[1,5-b]pyridazine-7-amine (3at)Hong-Yan Li, Ding Wei, Yi-Hua Du, et al.Journal of Molecular Modeling|May 26, 2021
First-principles calculation of electronic, vibrational, and thermodynamic properties of triaminoguanidinium nitrateWen-Guang Li, Yun-Dan Gan, Zhi-Xin Bai, et al.Pageof 2