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A comparative study of the vibrational and thermodynamic properties of α-RDX and γ-RDX under ambient conditions

Sheng-Hai Zhu1,2, Han Qin3,4, Wei Zeng5

  • 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.

Journal of Molecular Modeling
|June 9, 2019
PubMed

Keywords:
First-principles calculationsRDXThermodynamic propertiesVibrational properties

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