메뉴 건너뛰기




Volumn 16, Issue 2, 1997, Pages 261-267

Substituent effects on 103Rh NMR chemical shifts and reactivities. A density functional study

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000293064     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om960615y     Document Type: Article
Times cited : (35)

References (75)
  • 5
    • 5244359086 scopus 로고
    • Ph.D. Thesis, University of Zürich
    • Koller, M. Ph.D. Thesis, University of Zürich, 1993.
    • (1993)
    • Koller, M.1
  • 14
    • 0344791553 scopus 로고
    • Review: Ziegler, T. Chem. Rev. 1991, 91, 651; Can. J. Chem. 1995, 73, 743.
    • (1991) Chem. Rev. , vol.91 , pp. 651
    • Ziegler, T.1
  • 15
    • 0344791553 scopus 로고
    • Review: Ziegler, T. Chem. Rev. 1991, 91, 651; Can. J. Chem. 1995, 73, 743.
    • (1995) Can. J. Chem. , vol.73 , pp. 743
  • 35
    • 4043083704 scopus 로고
    • Perdew, J. P. Phys. Rev. B 1986, 33, 8822; 1986, 34, 7406.
    • (1986) Phys. Rev. B , vol.34 , pp. 7406
  • 45
    • 0003754095 scopus 로고
    • Ziesche, P., Eischrig, H., Eds.; Akademie Verlag: Berlin
    • Perdew, J. J. In Electronic Structure of Solids; Ziesche, P., Eischrig, H., Eds.; Akademie Verlag: Berlin, 1991.
    • (1991) Electronic Structure of Solids
    • Perdew, J.J.1
  • 54
    • 0010912918 scopus 로고
    • Laszlo, P., Ed.; Academic Press: New York
    • (b) Mann, B. E. In NMR of Newly Accessible Nuclei: Laszlo, P., Ed.; Academic Press: New York, 1983; p 301.
    • (1983) NMR of Newly Accessible Nuclei , pp. 301
    • Mann, B.E.1
  • 57
    • 0000244948 scopus 로고
    • Gonzales, C.; Schlegel, H. B. J. Chem. Phys. 1989, 90, 2154; 1990, 94, 5523.
    • (1990) J. Chem. Phys. , vol.94 , pp. 5523
  • 64
    • 85086289267 scopus 로고    scopus 로고
    • note
    • 5d form is 0.3 kcal/mol higher in energy at the BP86/ECP1 level.
  • 69
    • 19944391655 scopus 로고    scopus 로고
    • Lipkowitz, K. B., Boyd, D. B., Eds.; VCH: New York
    • Chesnut, D. B. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH: New York, 1996; Vol. 8, p 245.
    • (1996) Reviews in Computational Chemistry , vol.8 , pp. 245
    • Chesnut, D.B.1
  • 75
    • 85086289178 scopus 로고    scopus 로고
    • submitted for publication
    • 57Fe chemical shifts are in fact well-described without scaling at the GIAO-B3LYP level; see: Bühl, M. Chem. Phys. Lett., submitted for publication.
    • Chem. Phys. Lett.
    • Bühl, M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.