The PM0 method for analysis of structural features of polycyclic aromatic hydrocarbons relevant to asphaltenes

Use of the simple perturbation molecular orbital (PMO) method allows the first-order estimation of energies of formation (I$ of polycyclic aromatic hydrocarbons (PAH) as well as their localization (EL) and bislocalization (E,,) energies. These calculations give theoretical support to experimental ev...

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Bibliographic Details

Published:	2015
Subjects:	polycyclic aromatic hydrocarbons; asphaltenes; PM0 method)
Online Access:	http://hdl.handle.net/10872/11573
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