Avoiding pitfalls of a theoretical approach: The harmonic oscillator measure of aromaticity index from quantum chemistry calculations

Structural Chemistry

Volumn 24, Issue 4, 2013, Pages 1171-1184

  Andrzejak, Marcin ^a   Kubisiak, Piotr ^a   Zborowski, Krzysztof K ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

Aromaticity; Coupled clusters; DFT; Exchange correlation functionals; Geometry optimization; HOMA

Indexed keywords

EID: 84880714085     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-012-0148-2     Document Type: Article

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