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• W2091556054 endingPage "919" @default.
• W2091556054 startingPage "910" @default.
• W2091556054 abstract "Wavefunctions, Hamiltonian matrices, and population analyses are obtained for PH3, PO, PO−, and P2 from accurate self-consistent-field calculations in which multicentered basis sets of Slater orbitals have been employed. The P3d exponent was optimized at 1.40 in PO and 1.10 in PO−, assuming Slater exponents for other orbitals. These 3d orbitals were found to be important in the bonding in each of these molecules. Studies were also made of dipole moments, ionization potentials, and binding energies." @default.
• W2091556054 created "2016-06-24" @default.
• W2091556054 creator A5021792279 @default.
• W2091556054 creator A5082379736 @default.
• W2091556054 date "1967-02-01" @default.
• W2091556054 modified "2023-09-28" @default.
• W2091556054 title "Molecular SCF Calculations on PH₃, PO, PO⁻, and P₂" @default.
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• W2091556054 doi "https://doi.org/10.1063/1.1840826" @default.
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