Umbrella inversion and structure of phosphorus-containing compounds: A quantum chemical study

作者: Jamelah S. Al-Otaibi , Tarek M. El Gogary , Safinaz H. El-Demerdash

DOI: 10.1142/S0219633618500426

关键词: Reaction rate constantInversion barrierMolecular physicsQuantum chemicalDensity functional theoryAb initioInversion (discrete mathematics)Materials sciencePhosphorus containingStructure (category theory)

摘要: Ab initio and density functional theory calculations were used to determine structure inversion barrier at phosphorous (III) for open cyclic phosphorus-containing compounds. Structures of t...

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