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• W2949254906 startingPage "2357" @default.
• W2949254906 abstract "Ab initio calculations on three 1,3,2-diazaphosphole derivatives [(MP2/6-31G(d,p)] gave rise to structural and energetic data that are interpreted in context of aromaticity. The 1,3,2-diazaphospholenium ion is shown to have a degree of aromatic stabilization energy (24.0 kcal/mol) comparable to that of pyrrole. Cyclic delocalization is supported by analysis of computed charge distribution data, natural bond orbital data, bond lengths, and magnetic susceptibility data." @default.
• W2949254906 created "2019-06-27" @default.
• W2949254906 creator A5072087282 @default.
• W2949254906 date "1997-02-01" @default.
• W2949254906 modified "2023-09-23" @default.
• W2949254906 title "Ab initio calculations on 1,3,2-diazaphospholes: New heteroaromatic systems" @default.
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• W2949254906 doi "https://doi.org/10.1016/s0040-4020(96)01192-1" @default.
• W2949254906 hasPublicationYear "1997" @default.
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