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Energetics mechanical data normalization

The QUANTUM theoretical characterization of the molecular structure of polycyclic benzenoid aromatic hydrocarbons (PAHs) and the relationships of structure to the physical and chemical properties of PAHs are problems that have been of concern to theoreticians (and experimentalists) for more than 50 years. In general, quantum chemical procedures can be used successfully to correlate kinetic and thermodynamic data for PAHs. These procedures are usually restricted to the it systems of the PAHs and normally seem to yield very good results because (1) the it system properties are described accurately by quantum mechanical calculations and (2) the energetics of a given type of reaction in a group of related PAHs is mainly... [Pg.289]

See other pages where Energetics mechanical data normalization is mentioned: [Pg.322]    [Pg.290]    [Pg.76]    [Pg.45]    [Pg.66]    [Pg.46]    [Pg.24]    [Pg.1122]   
See also in sourсe #XX -- [ Pg.386 ]



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