The calculation of accurate harmonic frequencies of large molecules: The polycyclic aromatic hydrocarbons, a case study

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 53, Issue 8, 1997, Pages 1225-1240

  Bauschlicher, Charles W ^a   Langhoff, Stephen R ^a  

^a NASA AMES RESEARCH CENTER   (United States)

Author keywords

Charge delocalization; Harmonic frequencies; Infrared intensities

Indexed keywords

EID: 0000414571     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(97)00022-X     Document Type: Article

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