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- W2048796102 endingPage "2868" @default.
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- W2048796102 abstract "The properties of 28 molecules together with 12 transition states belonging to the series of azido-azines, tetrazolo-azines, diazo-azines, and 1,2,3-triazolo-azines have been studied at the B3LYP/6-31G(d), B3LYP/6-311++G(d,p) and, for 26 cases, at the G3B3 level. Energies, NICS and bond critical points were used to discuss the ring-chain tautomerism of these compounds in relation with the aromaticity of the azines (pyridine, pyrimidine, quinazoline, 1,3-diazapyrene, and perimidine) and the azoles (tetrazoles and 1,2,3-triazoles)." @default.
- W2048796102 created "2016-06-24" @default.
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- W2048796102 date "2010-04-01" @default.
- W2048796102 modified "2023-09-28" @default.
- W2048796102 title "The azido-tetrazole and diazo-1,2,3-triazole tautomerism in six-membered heteroaromatic rings and their relationships with aromaticity: Azines and perimidine" @default.
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- W2048796102 doi "https://doi.org/10.1016/j.tet.2010.02.035" @default.
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