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- W2023220795 abstract "Ab initio LCAO–MO–SCF calculations have been carried out on three conformations of monomethyl-phosphine, CH3PH2, using an uncontracted, moderate-sized Gaussian basis set, with and without d orbitals. The relative stability of the three forms (staggered, semieclipsed, and eclipsed) was studied. The effect of allowing d character to the phosphorus atom in this molecule was investigated in detail, with special reference to the carbon–phosphorus bond. Three-dimensional electron-density plots are presented and discussed in this context." @default.
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- W2023220795 date "1972-02-01" @default.
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- W2023220795 title "Rotational Barrier and Electronic Structure of Monomethylphosphine from <i>Ab Initio</i> LCAO–MO–SCF Calculations" @default.
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- W2023220795 doi "https://doi.org/10.1063/1.1677360" @default.
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