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

Mi Zhong1,2, Han Qin3,4, Qi-Jun Liu5,6

  • 1School of Physical Science and Technology, Southwest Jiaotong University, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Chengdu 610031, People's Republic of China. Joomy_8@163.com.

Journal of Molecular Modeling
|May 19, 2019
PubMed

Keywords:
AnisotropyFirst-principles calculationsImpact sensitivityNitromethane

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