Are polarizabilities useful as aromaticity indices? Tests on azines, azoles, oxazoles and thiazoles

Journal of Computational Methods in Sciences and Engineering

Volumn 4, Issue 3, 2004, Pages 427-438

  Doerksen, Robert J ^a,b   Steeves, Valerie J ^a   Thakkar, Ajit J ^a  

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

aromaticity indices; heterocyclic rings; MP2; polarizabilities; uncoupled Hartree Fock

Indexed keywords

AROMATIC COMPOUNDS; POLARIZATION;

AROMATICITIES; AROMATICITY INDICES; BOND ORDERS; HARTREE-FOCK; HETEROCYCLES; HETEROCYCLIC RINGS; POLARIZABILITIES; POLARIZABILITY ANISOTROPY;

AROMATIZATION;

EID: 46249102246     PISSN: 14727978     EISSN: None     Source Type: Journal    
DOI: 10.3233/jcm-2004-4318     Document Type: Article

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