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Theoretical Chemistry Accounts

Volumn 103, Issue 2, 1999, Pages 154-162

The infrared spectra of polycyclic aromatic hydrocarbons containing a five-membered ring: Symmetry breaking and the B3LYP functional

(3) Bauschlicher Jr , Charles W a Hudgins, Douglas M a Allamandola, Louis J a

a NASA AMES RESEARCH CENTER (United States)

Author keywords

Density functional theory; Symmetry breaking; Vibrational frequencies

Indexed keywords

EID: 0033273432 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s002140050526 Document Type: Article

Times cited : (42)

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