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- W2029456412 abstract "The related properties of quadrupole moment, magnetisability and rotational g factor were calculated by self-consistent field and coupled Hartree—Fock theory for the first- and second-row hydrides HF, H2O, NH3, CH4, HCl, H2S, PH3 and SiH4. Extensions of the medium-sized polarised basis sets previously defined for electric properties of Sadlej yield quadrupole moments and diamagnetic magnetisabilities at or near the Hartree—Fock limits, and total magnetisabilities that underestimate the experimental values by 10% or less. The level of agreement between calculated and measured g factors (± 0.05) is high enough to be useful in most cases for interpretation of Zeeman data and assessment of the reliability of the derived quadrupole moments." @default.
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- W2029456412 date "1993-05-01" @default.
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- W2029456412 title "Quadrupole moments, magnetisabilities and rotational g factors for first- and second-row hydrides" @default.
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