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Volumn 15, Issue 5, 2001, Pages 427-438

Investigation on quantitative relationship between chemical shift of carbon-13 nuclear magnetic resonance spectra and molecular topological structure based on a novel atomic distance-edge vector (ADEV)

Author keywords

Atomic distance edge vector (ADEV); Carbon 13 nuclear magnetic resonance (13C NMR) spectroscopy; Chemical shift in alkanes; Quantitative structure spectrum relationship (OSSR)

Indexed keywords

ATOMS; CARBON; CHEMICAL SHIFT; GRAPH THEORY; LINEAR REGRESSION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

EID: 0034916711     PISSN: 08869383     EISSN: None     Source Type: Journal    
DOI: 10.1002/cem.632     Document Type: Article
Times cited : (10)

References (20)
  • 2
    • 0001219776 scopus 로고
    • Topological index: A newly proposed quantity characterizing the topological nature of structural isomers of saturated hydrocarbons
    • (1971) Bull. Chem. Soc. Jpn. , vol.44 , pp. 2332-2339
    • Hosoya, H.1
  • 13
    • 0021455668 scopus 로고
    • Determination of topological similarity of carbon atoms in the simulation of carbon-13 nuclear magnetic resonance spectra
    • (1984) Anal. Chem. , vol.56 , pp. 1313-1323
    • Small, G.W.1    Jurs, P.C.2
  • 15
    • 0002422123 scopus 로고
    • An application of neural networks in chemistry: Prediction of carbon-13 nuclear magnetic resonance shift
    • (1991) J. Math. Chem. , vol.6 , pp. 63-76
    • Kvasnicka, V.1
  • 17
    • 0026703492 scopus 로고
    • Prediction of carbon-13 nuclear magnetic resonance chemical shifts by artificial neural networks
    • (1992) Anal. Chem. , vol.64 , pp. 1157-1164
    • Anker, L.S.1    Jurs, P.C.2
  • 19
    • 0029991212 scopus 로고
    • The simulation of carbon-13 nuclear magnetic resonance spectra of dibenzofurans using multiple linear regression analysis and neural networks
    • (1995) Anal. Chim. Acta , vol.321 , pp. 127-135
    • Clouser, D.L.1    Jurs, P.C.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.