Ab initio studies of crystalline nitromethane under high pressure
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2713102
Reference44 articles.
1. First Principles Calculation of the Mechanical Compression of Two Organic Molecular Crystals
2. Refinement of the structure of solid nitromethane
3. The structure of nitromethane at pressures of 0.3 to 6.0 GPa
4. Compression of solid nitromethane to 15 GPa at 298 K
5. Phase transitions and chemical transformations of nitromethane up to 350 °C and 35 GPa
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1. In situ time-resolved Raman spectroscopy of nitromethane under static and dynamic compression;Journal of Applied Physics;2023-08-24
2. Computer Simulation of the Structural Properties of Energetic Materials Using High Performance Computing;Software Engineering Perspectives in Intelligent Systems;2020
3. Effects of different dopant elements on structures, electronic properties, and sensitivity characteristics of nitromethane;Journal of Molecular Modeling;2018-09-25
4. Pressure dependence on electronic structures, charge distribution and bond orders of solid nitromethane using nonlocal DFT functional;Molecular Simulation;2018-09-07
5. The Photochemistry of Crystalline Nitromethane under Static Pressure;The Journal of Physical Chemistry C;2018-01-22
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