Simple molecular orbital calculations are employed in searching electronic parameters which may characterize the chemical carcinogens. Using frontier orbitals, the carcinogenαDNA bond formation is described as an electron transfer from the highest Ε½ . occupied molecular orbital HOMO of DNA to the lo
β¦ LIBER β¦
Prediction of Chemical Carcinogenicity from Molecular Structure.
β Scribed by Hongmao Sun
- Publisher
- John Wiley and Sons
- Year
- 2004
- Weight
- 10 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0931-7597
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