Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Shitai Guo"'
Publikováno v:
FirePhysChem, Vol 4, Iss 1, Pp 55-62 (2024)
Motivated by the excellent detonation performance of octanitrocubane, prismane is another potential backbone with high strain energy in energetic molecule design. In this work, we aim to screen out candidates of highly energetic molecules from the sp
Externí odkaz:
https://doaj.org/article/f8199c38b3104e35a66c5bd98d91c09d
Publikováno v:
FirePhysChem, Vol 3, Iss 4, Pp 339-349 (2023)
1,1-dinitro-2,2-diamino ethylene (FOX-7) is typically representative of low sensitivity and high energy compound. In this work, analogues of FOX-7 are screened using a combined method of high-throughput computation (HTC) and machine learning (ML). Th
Externí odkaz:
https://doaj.org/article/11c6cd16fc464116a133878cef6b1e63
Publikováno v:
AIP Advances, Vol 9, Iss 5, Pp 055116-055116-7 (2019)
All-nitrogen anions have attracted extensive attention because of their unique chemical and physical properties, and potential applications as high-energy density materials. Here, we discovered two N44- anions with planar zigzag and tripodal structur
Externí odkaz:
https://doaj.org/article/1cf6bd29f26f4523a88eb6ed55d082d1
Autor:
xiaoli Wang, Shitai Guo, Zhenzhen Xu, Yanlei Geng, Qi Rui, Dianchen Du, Fangxu Wang, Qinglin Wang, Jianfu Li
Publikováno v:
SSRN Electronic Journal.
Autor:
Shitai Guo, Xiaoli Wang, Quli Fan, Wenjun Wang, Haiquan Hu, Cailong Liu, Dandan Sang, Qinglin Wang, Bingyuan Zhang
Publikováno v:
CrystEngComm. 21:4507-4512
The dielectric properties and the role of grain boundaries in polycrystalline tetracene were studied at pressures of up to 21.3 GPa using in situ impedance spectroscopy measurements. Two anomalous changes in some of the electrical parameters (resista
Publikováno v:
Computational Materials Science. 169:109147
Exploring the bonding properties and polymerization mechanism of the polymer phases of nitrogen-rich compounds is one of the goals of high-pressure research. Considering first-principles calculations, a particle swarm optimization structure search me
Autor:
Hongyang Zhu, Jianfu Li, Zuoqin Zhu, Jiani Lin, Shitai Guo, Hongzhe Pan, Xiaoli Wang, Haiyan Lv
Publikováno v:
EPL (Europhysics Letters). 126:36001
The group-IIB elements, including zinc (Zn), cadmium (Cd), and mercury (Hg) are studied at multi-TPa pressures using first-principle electronic structure calculations coupled to an efficient structural prediction method. The experimental structural t
Publikováno v:
AIP Advances, Vol 9, Iss 5, Pp 055116-055116-7 (2019)
All-nitrogen anions have attracted extensive attention because of their unique chemical and physical properties, and potential applications as high-energy density materials. Here, we discovered two N44- anions with planar zigzag and tripodal structur
Autor:
Jianfu Li, Shitai Guo, Zuoqin Zhu, Jiani Lin, Haiyan Lv, Hongzhe Pan, Hongyang Zhu, Xiaoli Wang
Publikováno v:
Europhysics Letters; May2019, Vol. 126 Issue 3, p1-1, 1p