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• W1977533733 abstract "Estrone and some of its derivatives have been studied in the context of their possible activity as carcinogenic agents. The study has been carried out in a theoretical fashion (B3LYP/6-31G); the features chosen for the study were: (1) the energy gap between HOMO and HOMO-1, (2) the localized contributions of some regions to the relevant wave functions (related to local density of states) and (3) the aromatic character measured by nucleus independent chemical shift and indirectly by molecular electrostatic potential. Estrone does not have the expected carcinogenic activity but its derivatives exhibit some intriguing behavior." @default.
• W1977533733 created "2016-06-24" @default.
• W1977533733 creator A5081792308 @default.
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• W1977533733 date "2003-04-01" @default.
• W1977533733 modified "2023-10-09" @default.
• W1977533733 title "Carcinogenic activity in estrone and its derivatives: a theoretical study" @default.
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• W1977533733 doi "https://doi.org/10.1016/s0166-1280(02)00581-x" @default.
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