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...
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Scholar Commons
2007
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Online Access: | https://scholarcommons.usf.edu/etd/679 https://scholarcommons.usf.edu/cgi/viewcontent.cgi?article=1678&context=etd |