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- W2079188025 abstract "The purpose of this study was to determine if molecular orbital calculations could be used as a preliminary screen for assessing the potential of aromatic amines to induce the appearance of tumors. The results on a limited group of chemicals would indicate that the localization energy of the carbon ortho to the amino group shows promise. By performing the relatively simple calculation, a decision can be made regarding the potential of a candidate material to be a carcinogen." @default.
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- W2079188025 date "2009-06-18" @default.
- W2079188025 modified "2023-09-26" @default.
- W2079188025 title "The use of molecular orbital calculations as an aid in screening aromatic amines as potential carcinogens" @default.
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- W2079188025 doi "https://doi.org/10.1002/qua.560090715" @default.
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