作者: Jamelah S. Al-Otaibi , Tarek M. El Gogary , Safinaz H. El-Demerdash
DOI: 10.1142/S0219633618500426
关键词: Reaction rate constant 、 Inversion barrier 、 Molecular physics 、 Quantum chemical 、 Density functional theory 、 Ab initio 、 Inversion (discrete mathematics) 、 Materials science 、 Phosphorus containing 、 Structure (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...