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Volumn 100, Issue 41, 1996, Pages 16538-16544

Harmonic vibrational frequencies and force constants of M(CO)5CX (M = Cr, Mo, W; X = O, S, Se). The performance of density functional theory and the influence of relativistic effects

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EID: 0000057060     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp961383j     Document Type: Article
Times cited : (23)

References (56)
  • 24
    • 0000689264 scopus 로고
    • Phys. Rev. B 1986, B34, 7046.
    • (1986) Phys. Rev. B , vol.B34 , pp. 7046
  • 33
    • 33748461119 scopus 로고    scopus 로고
    • Maurer, F.; Wieser, H. The University of Calgary, Calgary, Canada, 1994
    • Maurer, F.; Wieser, H. The University of Calgary, Calgary, Canada, 1994.
  • 34
    • 33748461297 scopus 로고    scopus 로고
    • Schachtschneider; Shell Development Company, Emeryville, CA, 1960
    • Schachtschneider; Shell Development Company, Emeryville, CA, 1960.
  • 41
    • 33748447022 scopus 로고    scopus 로고
    • In our previous papers we used LDA+NL notation for nonlocal gradient corrections. Since GGA is more commonly used, we adopted this notation in this paper
    • In our previous papers we used LDA+NL notation for nonlocal gradient corrections. Since GGA is more commonly used, we adopted this notation in this paper.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.