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• W1974877443 abstract "It is shown that experimental atomic charges, qα0, can be derived from integrated infrared-absorption intensities. The physical meaning of qα0 is outlined. A discussion is presented on the possible correspondence between experimental qα0 values and the theoretical atomic charges obtained from various ways of partitioning the charge density." @default.
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• W1974877443 date "1986-06-01" @default.
• W1974877443 modified "2023-10-03" @default.
• W1974877443 title "Molecular point charges as derived from infrared intensities and from ab initio calculations" @default.
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• W1974877443 doi "https://doi.org/10.1016/0166-1280(86)87027-0" @default.
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