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- W1992217813 abstract "As a follow-up on a study of a family of boron-oxygen-nitrogen compounds composed of two datively bonded B–O–N backbones, we investigate a similar series of compounds that have similar fragments but are covalently bonded. B3LYP/6-31G(d,p) quantum mechanical calculations have been performed to determine the minimum-energy geometries, vibrational frequencies, and thermochemical properties of the parent compound and a series of nitro-substituted derivatives. Our results indicate that some of the derivatives have at least appropriate thermodynamics for possible high-energy materials, in some cases being favorable over similar dimeric compounds with coordinate covalent B–N bonds." @default.
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- W1992217813 date "2011-08-11" @default.
- W1992217813 modified "2023-09-25" @default.
- W1992217813 title "Introducing NOB-NOBs: nitrogen-oxygen-boron cycles with potential high-energy properties" @default.
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- W1992217813 doi "https://doi.org/10.1007/s00894-011-1203-4" @default.
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