RESEARCH PAPER · Journal of Molecular Modeling · 2024
Computational insights into the structure and decomposition behaviors of 2,4,6-triamino-5-nitropyrimidine-1,3-dioxide under high pressure up to 10 GPa
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Anisotropic structural response and decomposition behaviors of Hexanitrostilbene under high pressure: Insights from ab initio calculations.
Computational and Theoretical Chemistry · 2025-04-13
Hai-Chao Ren, Fan Jiang, Xiaoyang Wu, Bo Wang, Ye Wang, Jun Tao
Read original paper ↗ ·Anisotropic response and decomposition mechanism of PYX crystal under high pressure: a first-principles study
Molecular Physics · 2025-09-22
Zhi‐Ming Guo, Feng Ye, Xian‐Zhen Jia
Read original paper ↗ ·Anisotropic compression and trigger-bond identification in a fused heterocyclic energetic crystal under high pressure up to 10 GPa
Journal of Molecular Modeling · 2026-07-18
Zhi‐Ming Guo, Feng-Hua Ye, Xian‐Zhen Jia
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