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Volumn 117, Issue 5-6, 2007, Pages 603-619

Computational NMR spectroscopy: Reversing the information flow

Author keywords

Chemical shift; Density functional theory; NMR spectroscopy; Relativistic calculations; Spin spin coupling

Indexed keywords


EID: 34247552832     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-006-0196-z     Document Type: Article
Times cited : (102)

References (68)
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    • Kaupp M, Bühl M, Malkin VG eds, Wiley-VCH, Weinheim, chap 14, p
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    • Kaupp M, Bühl M, Malkin VG eds, Wiley-VCH, Weinheim, chap 15, p
    • Autschbach J, Ziegler T (2004) Relativistic calculations of spin-spin coupling constants of heavy nuclei. In: Kaupp M, Bühl M, Malkin VG (eds) Calculation of NMR and EPR parameters. Wiley-VCH, Weinheim, chap 15, p 249
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    • First-principles calculations of paramagnetic NMR shifts
    • Kaupp M, Bühl M, Malkin VG eds, Wiley-VCH, Weinheim, chap 20, p
    • Moon S, Patchkovskii S (2004) First-principles calculations of paramagnetic NMR shifts. In: Kaupp M, Bühl M, Malkin VG (eds) Calculation of NMR and EPR parameters. Wiley-VCH, Weinheim, chap 20, p 325
    • (2004) Calculation of NMR and EPR parameters , pp. 325
    • Moon, S.1    Patchkovskii, S.2
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    • Frisch MJ et al. (2004) Gaussian 03. Gaussian, Inc., Wallingford
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.