Article ID Journal Published Year Pages File Type
5394950 Computational and Theoretical Chemistry 2012 5 Pages PDF
Abstract
► Cn(CO3N)2n+2 systems investigated with Hartree-Fock and density functional methods. ► Nitritocarbonyl systems were most stable; nitratoxycarbon systems were least stable. ► Molecules may be of interest as potential high-energy materials.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
A computational study of novel nitratoxycarbon, nitritocarbonyl, and nitrate compounds and their potential as high energy materials
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