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- W1996367070 abstract "SCF one-electron property calculations are reported for the nitroxyl molecule, using several types of Gaussian basis sets. An assessment is made of the size and type of basis set necessary to yield values for various one-electron properties that approach the best calculated or experimental results. The charge distribution is not improved by including the Gaussian lobe functions." @default.
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- W1996367070 date "1985-09-01" @default.
- W1996367070 modified "2023-09-25" @default.
- W1996367070 title "One-electron properties of HNO" @default.
- W1996367070 doi "https://doi.org/10.1139/v85-411" @default.
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