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- W1994622170 abstract "A small gaussian lobe basis is given for MO SCF calculations on iodine compounds within reasonable computing times. The reliability of the calculations is tested by a comparison of the calculated with the experimental X-ray fluorescence spectrum of iodine. The agreement of both, as well as the correspondence of calculated and experimental physical properties of diatomic compounds, indicate the basis to be suitable for a quantum chemical treatment of larger molecules containing this element." @default.
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- W1994622170 date "1974-07-01" @default.
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- W1994622170 title "A small gaussian basis set for non-empirical all-electron SCF calculations on iodine compounds" @default.
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- W1994622170 doi "https://doi.org/10.1016/0009-2614(74)90220-6" @default.
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