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Volumn 22, Issue 16, 2001, Pages 2010-2017

Density functional studies of AnF6 (An = U, Np, and Pu) and UF6-nCln (n = 1-6) using hybrid functionals: Geometries and vibrational frequencies

Author keywords

Actinides; Bond length; Density functional calculation; Relativistic effective core potential; Vibrational frequency

Indexed keywords


EID: 0000208667     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1149     Document Type: Article
Times cited : (39)

References (40)
  • 12
    • 4243487338 scopus 로고    scopus 로고
    • Küchle, W. http://www.theochem.uni-stuttgart.de/.
    • Küchle, W.1
  • 37
    • 5944261746 scopus 로고
    • Perdew, J. P. Phys Rev B 1986, 33, 8822; Phys Rev B 1986, 34, 7606.
    • (1986) Phys Rev B , vol.33 , pp. 8822
    • Perdew, J.P.1
  • 38
    • 5944261746 scopus 로고
    • Perdew, J. P. Phys Rev B 1986, 33, 8822; Phys Rev B 1986, 34, 7606.
    • (1986) Phys Rev B , vol.34 , pp. 7606


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.