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Volumn 101, Issue 38, 1997, Pages 7464-7471

NO/Ni, NO/Ni2, and (NO)2/Ni2 interactions. A density functional study

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMICAL BONDS; COMPUTATIONAL METHODS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NICKEL; NITROGEN OXIDES;

EID: 0031236559     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9706801     Document Type: Article
Times cited : (18)

References (53)
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    • (1990) Chem. Phys. Lett. , vol.169 , pp. 387
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  • 30
    • 0000244735 scopus 로고    scopus 로고
    • Thesis, Université de Montréal
    • St-Amant, A.; Salahub, D. R. Chem. Phys. Lett. 1990, 169, 387. St-Amant, A. Thesis, Université de Montréal, 1992. Casida, M. E.; Daul, C. D.; Goursot, A.; Koester, A.; Petterson, L.; Proynov, E.; St-Amant, A.; Salahub, D. R.; Duarte, H. A.; Godbout, N.; Guan, J.; Jamorski, C.; Leboeuf, M.; Malkin, V.; Malkina, O.; Sim, F.; Vela, A.; deMon Software, deMon-KS3 Module; University of Montreal, 1996.
    • (1992)
    • St-Amant, A.1
  • 37
    • 4043081153 scopus 로고    scopus 로고
    • Thèse de doctorat, Université de Montréal
    • Godbout, N. Thèse de doctorat, Université de Montréal, 1996.
    • (1996)
    • Godbout, N.1
  • 41
    • 0001462745 scopus 로고
    • -1, estimated from the vibrational spacings of the UV-visible spectra (J. Chem. Phys. 1977, 66, 3988).
    • (1979) J. Chem. Phys. , vol.71 , pp. 3547
    • Ahmed, F.1    Nixon, E.R.2
  • 49
    • 0345491105 scopus 로고
    • B3LYP and BLYP schemes use the correlation functional of Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785 . B3LYP uses the hybrid exchange functional due to Becke, A. D. J. Chem. Phys. 1993, 98, 5648, and BLYP uses the exchange functional due to Becke, A. D. Phys. Rev. A 1988, 38, 3098.
    • (1988) Phys. Rev. B , vol.37 , pp. 785
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 50
    • 0000189651 scopus 로고
    • B3LYP and BLYP schemes use the correlation functional of Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785 . B3LYP uses the hybrid exchange functional due to Becke, A. D. J. Chem. Phys. 1993, 98, 5648, and BLYP uses the exchange functional due to Becke, A. D. Phys. Rev. A 1988, 38, 3098.
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 51
    • 4243553426 scopus 로고
    • B3LYP and BLYP schemes use the correlation functional of Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785 . B3LYP uses the hybrid exchange functional due to Becke, A. D. J. Chem. Phys. 1993, 98, 5648, and BLYP uses the exchange functional due to Becke, A. D. Phys. Rev. A 1988, 38, 3098.
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.D.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.