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- W1963516456 abstract "The structures of trans- and cis-methylene-1,2-diphosphirane carbene (5 and 6), trans- and cis-2,4-diphosphabicyclo[1.1.0]-1-butene (7 and 8), and Z- and E-1,4-diphospha-1,2,3-butatriene (9 and 10) were optimized at the HF/6-31G∗ level with single-point calculations performed at MP2, MP3, and CISD levels. Structure 7 is a transition structure on the energy surface, and though 8 is a local minimum, it lies 13–15 kcal mol−1 above 5, and is unlikely to be an intermediate in the conversion of 5 to 10." @default.
- W1963516456 created "2016-06-24" @default.
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- W1963516456 date "1992-12-01" @default.
- W1963516456 modified "2023-10-18" @default.
- W1963516456 title "Theoretical investigation of the conversion of methylene-1,2-diphosphirane carbene to 1,4-diphospha-1,2,3-butatriene" @default.
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- W1963516456 doi "https://doi.org/10.1016/0166-1280(92)87128-m" @default.
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