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Volumn 954, Issue 1-3, 2010, Pages 105-108

Calculation of 59Co shielding tensor σ using LF-DFT

Author keywords

59Co NMR; LF DFT; Shielding tensor

Indexed keywords


EID: 77954658688     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.02.027     Document Type: Article
Times cited : (12)

References (31)
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    • Kidd R.G., Goodfellow R.J. NMR and The Periodic Table 1978, 225-244. Academic Press, New York, (Chapter 8). R.K. Harris, B.E. Mann (Eds.).
    • (1978) NMR and The Periodic Table , pp. 225-244
    • Kidd, R.G.1    Goodfellow, R.J.2
  • 20
    • 77954658854 scopus 로고    scopus 로고
    • ADF2007.01, SCM, Theo. Chem., Vrije Universiteit, Amsterdam, The Netherlands. Available from:
    • ADF2007.01, SCM, Theo. Chem., Vrije Universiteit, Amsterdam, The Netherlands. Available from: http://www.scm.com.
  • 22
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    • MATLAB® (The MathWorks, Inc., Natick, MA). Available from:
    • MATLAB® (The MathWorks, Inc., Natick, MA). Available from: http://www.mathworks.com.
  • 23
    • 77954658214 scopus 로고    scopus 로고
    • Modeling the properties of open d-shell molecules with a multi-determinantal DFT, These Nr. 1465, Université d Fribourg, Suisse,
    • C. Rauzy, Modeling the properties of open d-shell molecules with a multi-determinantal DFT, These Nr. 1465, Université d Fribourg, Suisse, 2005.
    • (2005)
    • Rauzy, C.1
  • 24
    • 77954660579 scopus 로고    scopus 로고
    • XATOM: atomic DFT program developed by C.A. Daul.
    • XATOM: atomic DFT program developed by C.A. Daul.
  • 28
    • 77954660552 scopus 로고    scopus 로고
    • The Cambridge Crystallographic Data Centre, Cambridge. Available from:
    • The Cambridge Crystallographic Data Centre, Cambridge. Available from: http://www.ccdc.cam.ac.uk/products/csd/radii/table.php4.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.