Validation of semiempirical PM6 method for the prediction of molecular properties of polycyclic aromatic hydrocarbons and fullerenes

Chemical Physics Letters

Volumn 460, Issue 1-3, 2008, Pages 151-154

  Alparone, Andrea ^a   Librando, Vito ^a   Minniti, Zelica ^a  

^a Monitoring and Minimization Methods of Environmental Risk   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; AROMATIZATION; CALCULATIONS; CARBON; COMPUTATIONAL GEOMETRY; ERROR ANALYSIS; FORECASTING; FULLERENES; HYDROCARBONS; NANOSTRUCTURES; ORGANIC COMPOUNDS; POLYCYCLIC AROMATIC HYDROCARBONS;

(HYPER)POLARIZABILITIES; AB INITIO CALCULATIONS; ELECTRONIC-POLARIZABILITY; ELSEVIER (CO); INTERMOLECULAR INTERACTIONS (IMI); MOLECULAR PROPERTIES; POLYCYCLIC AROMATIC HYDROCARBONS (PAHS); PROPERTY (S); SEMI-EMPIRICAL;

AROMATIC HYDROCARBONS;

EID: 46849092149     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.05.028     Document Type: Article

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