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- W2060669969 abstract "High level of ab initio and density functional theory methods were used to generate structural and energetic properties for two-dimensional (planar) and three-dimensional C4−nNnH4−n where n is 0,2, and 4. Their stabilities were estimated by computing the enthalpy of formation, and the enthalpy of the possible cycloaddition reaction for their preparation. It was determined that both planar and three-dimensional isomers are highly energetic materials that should easily decompose at thigh pressure through the formation of gaseous, two-heavy-atom molecules. These compounds should be difficult to prepare and the computed IR spectra were offered as guidance for their detection in reaction mixture at low temperature matrix preparation." @default.
- W2060669969 created "2016-06-24" @default.
- W2060669969 creator A5024278314 @default.
- W2060669969 date "2001-02-01" @default.
- W2060669969 modified "2023-09-24" @default.
- W2060669969 title "Structures and properties of nitrogen derivatives of tetrahedrane" @default.
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- W2060669969 doi "https://doi.org/10.1016/s0166-1280(00)00619-9" @default.
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