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Volumn 111, Issue 28, 2007, Pages 6334-6344

Cyanides and isocyanides of first-row transition metals: Molecular structure, bonding, and isomerization barriers

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CYANIDES; ISOMERIZATION; MOLECULAR STRUCTURE; QUANTUM CHEMISTRY;

EID: 34547553413     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp072434n     Document Type: Article
Times cited : (48)

References (75)
  • 47
    • 0004133516 scopus 로고    scopus 로고
    • Gaussian Inc, Pittsburgh, PA
    • Frisch, M. J.; et al. Gaussian 98; Gaussian Inc.: Pittsburgh, PA, 1998.
    • (1998) Gaussian 98
    • Frisch, M.J.1
  • 52
    • 34547547003 scopus 로고    scopus 로고
    • Amos, R. D.; et al. MOLPRO, 2002.1.
    • Amos, R. D.; et al. MOLPRO, 2002.1.
  • 73
    • 2442478207 scopus 로고    scopus 로고
    • The fact that stronger bonds may come from less Pauli repulsion in addition to stronger attractive interactions has been discussed, for example, in: Esterhuysen, C, Frenking, G. Theor. Chem. Acc. 2004, 111, 381-389
    • The fact that stronger bonds may come from less Pauli repulsion in addition to stronger attractive interactions has been discussed, for example, in: Esterhuysen, C.; Frenking, G. Theor. Chem. Acc. 2004, 111, 381-389.
  • 75
    • 34547514501 scopus 로고    scopus 로고
    • The δ contribution to the orbital term is always smaller than 2% and is not shown in Figure 3 for the sake of simplicity. We also remind the reader that the orbital interaction is not only due to charge transfer but also to charge polarization of the fragment's density due to the presence of the other fragment.
    • The δ contribution to the orbital term is always smaller than 2% and is not shown in Figure 3 for the sake of simplicity. We also remind the reader that the orbital interaction is not only due to charge transfer but also to charge polarization of the fragment's density due to the presence of the other fragment.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.