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Journal Abstract Search

78 related items for PubMed ID: 19685922

  • 1. Qualitative study of substituent effects on NMR (15)N and (17)O chemical shifts.
    Contreras RH, Llorente T, Pagola GI, Bustamante MG, Pasqualini EE, Melo JI, Tormena CF.
    J Phys Chem A; 2009 Sep 10; 113(36):9874-80. PubMed ID: 19685922
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  • 2. Experimental, SOPPA(CCSD), and DFT analysis of substitutent effects on NMR 1JCF coupling constants in fluorobenzene derivatives.
    Vilcachagua JD, Ducati LC, Rittner R, Contreras RH, Tormena CF.
    J Phys Chem A; 2011 Feb 24; 115(7):1272-9. PubMed ID: 21280628
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  • 9. Stereochemical dependence of NMR geminal spin-spin coupling constants.
    Contreras RH, Provasi PF, dos Santos FP, Tormena CF.
    Magn Reson Chem; 2009 Feb 24; 47(2):113-20. PubMed ID: 18991325
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  • 10. Density-functional computation of (99)Tc NMR chemical shifts.
    Bühl M, Golubnychiy V.
    Magn Reson Chem; 2008 Feb 24; 46 Suppl 1():S36-44. PubMed ID: 18855338
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  • 11. Substituent-dependent negative hyperconjugation in 2-aryl-1,3-N,N-heterocycles. fine-tuned anomeric effect?
    Hetényi A, Martinek TA, Lázár L, Zalán Z, Fülöp F.
    J Org Chem; 2003 Jul 11; 68(14):5705-12. PubMed ID: 12839466
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  • 13. Propagation of polar substituent effects in 1-(substituted phenyl)-6,7-dimethoxy-3,4-dihydro- and -1,2,3,4-tetrahydroisoquinolines as explained by resonance polarization concept.
    Neuvonen K, Fülöp F, Neuvonen H, Koch A, Kleinpeter E, Pihlaja K.
    J Org Chem; 2005 Dec 23; 70(26):10670-8. PubMed ID: 16355984
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  • 15. Relativistic effects on nuclear magnetic shielding constants in HX and CH3X (X=Br,I) based on the linear response within the elimination of small component approach.
    Melo JI, Ruiz de Azua MC, Giribet CG, Aucar GA, Provasi PF.
    J Chem Phys; 2004 Oct 08; 121(14):6798-808. PubMed ID: 15473737
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  • 16. Substituent effects on 61Ni NMR chemical shifts.
    Bühl M, Peters D, Herges R.
    Dalton Trans; 2009 Aug 14; (30):6037-44. PubMed ID: 19623404
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  • 17. Substituent-dependent anomeric effects as a source of conformational preference in pyridinium methylides.
    Gupta N, Shah KK, Garg R.
    J Org Chem; 2006 Feb 17; 71(4):1344-50. PubMed ID: 16468781
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  • 18. Electronic states of o-nitrobenzaldehyde: a combined experimental and theoretical study.
    Leyva V, Corral I, Schmierer T, Heinz B, Feixas F, Migani A, Blancafort L, Gilch P, González L.
    J Phys Chem A; 2008 Jun 12; 112(23):5046-53. PubMed ID: 18491872
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  • 19. Molecular Quantum Similarity Measures from Fermi hole densities: modeling Hammett sigma constants.
    Gironés X, Ponec R.
    J Chem Inf Model; 2006 Jun 12; 46(3):1388-93. PubMed ID: 16711758
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  • 20. How (77)Se NMR chemical shifts originate from pre-alpha, alpha, beta, and gamma effects: interpretation based on molecular orbital theory.
    Nakanishi W, Hayashi S, Hada M.
    Chemistry; 2007 Jun 12; 13(18):5282-93. PubMed ID: 17436352
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