Study of the Relation Between the Theoretical Descriptors Derived From Ab-initio Calculations with the Carcinogenity of Some Poly Aromatic Hydrocarbons
Abstract:<br /> The various types of descriptors such as ionization energy, molecular hardness, electrophilicity, frontier molecular orbital energies together with electron densities of each atom for the optimized geometries of the molecule of different polyaromatic hydrocarbons (PAHs) were es...
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| Format: | Book |
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College of Education for Pure Sciences,
2012-12-01T00:00:00Z.
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