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Volumn 109, Issue 4, 1998, Pages 1212-1222

Quadratic response calculations of the electronic spin-orbit contribution to nuclear shielding tensors

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001219781     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476672     Document Type: Article
Times cited : (100)

References (64)
  • 21
    • 22244434605 scopus 로고    scopus 로고
    • Ph.D. thesis, University of Calgary, Alberta
    • G. Schreckenbach, Ph.D. thesis, University of Calgary, Alberta, 1996.
    • (1996)
    • Schreckenbach, G.1
  • 31
    • 22244461847 scopus 로고    scopus 로고
    • personal communication
    • K. Fægri (personal communication).
    • Fægri, K.1
  • 62
    • 22244470382 scopus 로고    scopus 로고
    • note
    • 3I both at nonrelativistic all-electron and quasi-relativistic effective core potential (ECP) levels. The latter type of calculation takes into account the scalar relativistic effects originating from the iodine atom. While the nonrelativistic result was 194.3 ppm, the use of ECP on the I atom led to the deshielding change of -14 ppm.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.