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Volumn 108, Issue 19-20, 2010, Pages 2647-2654

On the calculation of the vibrational frequencies of polycyclic aromatic hydrocarbons

Author keywords

DFT; PAHs; vibrational frequencies

Indexed keywords

BASIS SETS; CLOSED SHELLS; DFT; FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATIONS; HYBRID FUNCTIONALS; NEUTRAL MOLECULES; OPEN-SHELL; PAHS; VIBRATIONAL FREQUENCIES;

EID: 78449296788     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.518979     Document Type: Conference Paper
Times cited : (35)

References (39)
  • 25
    • 80755162725 scopus 로고    scopus 로고
    • Errata: 78, 1396(1997).
    • (1997) Errata , vol.78 , pp. 1396
  • 34
    • 0001869942 scopus 로고
    • edited by H. F. Schaefer III Plenum, New York
    • T. H. Dunning and P. J. Hay, in Modern Theoretical Chemistry, edited by H. F. Schaefer III (Plenum, New York, 1976), Vol. 3, p. 1.
    • (1976) Modern Theoretical Chemistry , vol.3 , pp. 1
    • Dunning, T.H.1    Hay, P.J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.