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110 积分 2025-11-13 加入
First-principles study of structural, hydrogen bonds and mechanical properties of α-RDX under hydrostatic compression
27天前
已完结
First-principles study of structural, hydrogen bonds and mechanical properties of α-RDX under hydrostatic compression
1个月前
已完结
Enhancing thermal transport in TKX-50 energetic materials: the role of graphene orientation and molecular interactions
3个月前
已完结
Study on phonon spectra and heat capacities of CL-20/MTNP cocrystal and co-formers by density functional theory method
3个月前
已完结
Toward Addressing the Challenge to Predict the Heat Capacities of RDX and HMX Energetic Materials
4个月前
已完结
To explore the relationship between energy transfer rate and impact sensitivity by the first-principle calculation method
4个月前
已完结
Theoretical relationship between vibrational properties and impact sensitivity of energetic materials from the phonon upon transition theory
5个月前
已完结
Are Elastic Properties of Molecular Crystals within Reach of Density Functional Theory? Accuracy, Robustness, and Reproducibility of Current Approaches
5个月前
已完结
Tutorial: How to Train a Neural Network Potential
5个月前
已完结
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