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Volumn 106, Issue 21, 1997, Pages 8778-8787

Density functional study of mononitrosyls of first-row transition-metal atoms

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[No Author keywords available]

Indexed keywords


EID: 0004231244     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473938     Document Type: Article
Times cited : (44)

References (28)
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    • A. St-Amant and D. R. Salahub, Chem. Phys. Lett. 169, 387 (1990); Alain St-Amant, Thesis, Université de Montréal (1992).
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    • St-Amant, A.1
  • 9
    • 85033294710 scopus 로고    scopus 로고
    • Thesis, Université de Montréal
    • N. Godbout, Thesis, Université de Montréal, 1996.
    • (1996)
    • Godbout, N.1
  • 20
    • 10444274694 scopus 로고
    • J. Sugar and A. Musgrove, J. Phys. Chem. Ref. Data 19, 527 (1990); J. Sugar and C. Corliss, J. Phys. Chem. Ref. Data 14, Suppl. No. 2 (1990).
    • (1990) J. Phys. Chem. Ref. Data , vol.14 , Issue.2 SUPPL.
    • Sugar, J.1    Corliss, C.2
  • 24
    • 0345491105 scopus 로고
    • B3LYP and BLYP schemes use the correlation functional of C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). B3LYP uses the hybrid exchange functional due to A. D. Becke, J. Chem. Phys. 98, 5648 (1993); and BLYP uses the exchange functional due to A. D. Becke, Phys. Rev. A 38, 3098 (1988).
    • (1988) Phys. Rev. B , vol.37 , pp. 785
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 25
    • 0000189651 scopus 로고
    • B3LYP and BLYP schemes use the correlation functional of C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). B3LYP uses the hybrid exchange functional due to A. D. Becke, J. Chem. Phys. 98, 5648 (1993); and BLYP uses the exchange functional due to A. D. Becke, Phys. Rev. A 38, 3098 (1988).
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 26
    • 4243553426 scopus 로고
    • B3LYP and BLYP schemes use the correlation functional of C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). B3LYP uses the hybrid exchange functional due to A. D. Becke, J. Chem. Phys. 98, 5648 (1993); and BLYP uses the exchange functional due to A. D. Becke, Phys. Rev. A 38, 3098 (1988).
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.D.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.