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- W2029332339 abstract "Core electron binding energy shifts (ΔCEBE's) of carbon atoms calculated with the semi empirical HAM/3 method were shown to serve as a useful descriptor for SAR analysis of cytotoxicities of a series of simple phenols. Using three selected ΔCEBE's of carbon atoms in the phenyl ring of the compounds, the compounds were well separated by a pattern recognition method such as principal component analysis." @default.
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- W2029332339 date "2003-12-01" @default.
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- W2029332339 title "Core electron binding energy (CEBE) shifts as descriptors in structure activity relationship (SAR) analysis of cytotoxicities of a series of simple phenols" @default.
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- W2029332339 doi "https://doi.org/10.1016/j.theochem.2003.08.131" @default.
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