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- W2810361956 abstract "Abstract Enthalpies of formation of the cyanonitrene radical, NCN, were calculated according to the HEAT ( H igh-accuracy E xtrapolated A b initio T hermochemistry) protocol. The obtained, recommended values are 451.7 ± 1.0 kJ mol−1 and 452.2 ± 1.0 kJ mol−1 at 0 K and 298.15 K, respectively (gas phase, 1 bar). The calculated values are in agreement with the most recent Active Thermochemical Tables analysis and some of the previous experimental and computational results. The uncertainties associated with the HEAT values are, however, considerably smaller." @default.
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- W2810361956 date "2018-08-01" @default.
- W2810361956 modified "2023-09-24" @default.
- W2810361956 title "High-accuracy extrapolated ab initio thermochemistry of the NCN radical" @default.
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- W2810361956 doi "https://doi.org/10.1016/j.cplett.2018.06.047" @default.
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