First-Principles Studies of Energetic Materials
First-principles density functional theory calculations were performed on a number of important energetic molecular crystals, pentaerythritol tetranitrate (PETN), cyclotetramethylene tetranitramine (HMX), cyclotrimethylene trinitramine (RDX), and nitromethane. Simulations of hydrostatic and uniaxial...
| Main Author: | |
|---|---|
| Format: | Others |
| Published: |
Scholar Commons
2007
|
| Subjects: | |
| Online Access: | https://scholarcommons.usf.edu/etd/679 https://scholarcommons.usf.edu/cgi/viewcontent.cgi?article=1678&context=etd |