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Volumn 75, Issue 4-5, 1999, Pages 863-873

Density functional study of small molecules and transition-metal carbonyls using revised PBE functionals

Author keywords

Density functional calculations; Generalized gradient approximation (GGA); Transition metal carbonyls

Indexed keywords


EID: 0001437743     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1999)75:4/5<863::AID-QUA51>3.0.CO;2-T     Document Type: Article
Times cited : (171)

References (48)
  • 23
    • 5944261746 scopus 로고
    • Perdew, J. P. Phys Rev B 1986, 33, 8822; Ibid. 1986, 34, 7406.
    • (1986) Phys Rev B , vol.33 , pp. 8822
    • Perdew, J.P.1
  • 24
    • 4043083704 scopus 로고
    • Perdew, J. P. Phys Rev B 1986, 33, 8822; Ibid. 1986, 34, 7406.
    • (1986) Phys Rev B , vol.34 , pp. 7406
  • 26
    • 2942542478 scopus 로고
    • Krasnov, K. S. ed.; Moleculjarnyje Postojannyje Neorganicheskih Sojedinenij; Khimija: Leningrad, 1979
    • (a) DeFeers, J.; Levi, B. A.; Pollack, S. K.; Hehre, W. J.; Binkley, J. S.; Pople, J. A. J Am Chem Soc 1979, 101, 4085; Krasnov, K. S. ed.; Moleculjarnyje Postojannyje Neorganicheskih Sojedinenij; Khimija: Leningrad, 1979.
    • (1979) J Am Chem Soc , vol.101 , pp. 4085
    • Defeers, J.1    Levi, B.A.2    Pollack, S.K.3    Hehre, W.J.4    Binkley, J.S.5    Pople, J.A.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.