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Volumn 18, Issue 2, 2007, Pages 444-458

Density functional studies of diatomic LaO to LuO

Author keywords

Density functional study; Diatomic LaO to LuO; Electronic properties; Geometries

Indexed keywords


EID: 34547271140     PISSN: 10407278     EISSN: 15728862     Source Type: Journal    
DOI: 10.1007/s10876-007-0108-y     Document Type: Article
Times cited : (41)

References (46)
  • 44
    • 34547313828 scopus 로고    scopus 로고
    • Note
    • In the vibrational frequency calculation, the atomic mass of Pm is chosen 144.9128, because in Gaussian Package, the default mass of Pm was not chosen and this causes the failure of PmO frequency calculation. The mass used came from a web based source where it was attributed to Audi et al. "AME 2003 Atomic Mass Evaluation" Nuclear Physics A729(2003). It should be verified before being relied upon. It is the mass of the most abundant isotope. We are grateful to Dr. Laurence Cuffe of Gaussian Company for the help in the vibrational frequency calculation of PmO


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.