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Lone-Pair Orientation Effect of an α-Oxygen Atom on (1)JCC NMR Spin-Spin Coupling Constants in o-Substituted Phenols. Experimental and DFT Study.
J Chem Theory Comput. 2007 Jul;3(4):1284-94. doi: 10.1021/ct7000396.
J Chem Theory Comput. 2007.
PMID: 26633202
Substituent effects on scalar J(13C, 13C) couplings in pyrimidines. An experimental and DFT study.
de Kowalewski DG, Díez E, Esteban AL, Barone V, Peralta JE, Contreras RH.
de Kowalewski DG, et al.
Magn Reson Chem. 2004 Nov;42(11):938-43. doi: 10.1002/mrc.1426.
Magn Reson Chem. 2004.
PMID: 15386555
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Solvent effects on oxygen-17 chemical shifts in methyl formate: linear solvation shift relationships.
de Kowalewski DG, Kowalewski VJ, Contreras RH, Díez E, Casanueva J, San Fabián J, Esteban AL, Galache MP.
de Kowalewski DG, et al.
J Magn Reson. 2001 Jan;148(1):1-10. doi: 10.1006/jmre.2000.2200.
J Magn Reson. 2001.
PMID: 11133270
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