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• W2894496052 endingPage "1850042" @default.
• W2894496052 startingPage "1850042" @default.
• W2894496052 abstract "Ab initio and density functional theory calculations were used to determine structure and inversion barrier at phosphorous (III) for open and cyclic phosphorus-containing compounds. Structures of the investigated systems were compared with the available experimental data. Effects of ring size on the P-inversion barriers in these molecules have been discussed. The largest/smallest inversion barrier was reported for phosphocyclopropene/trivinylphosphine (85.1/21.0 kcal/mol). Inversion rate and half-life time were computed." @default.
• W2894496052 created "2018-10-05" @default.
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• W2894496052 date "2018-11-01" @default.
• W2894496052 modified "2023-09-27" @default.
• W2894496052 title "Umbrella inversion and structure of phosphorus-containing compounds: A quantum chemical study" @default.
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• W2894496052 doi "https://doi.org/10.1142/s0219633618500426" @default.
• W2894496052 hasPublicationYear "2018" @default.
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