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Hyperconjugative interactions
13
"Experimental, SOPPA(CCSD), and DFT analysis of substitutent effects on NMR 1 JCF coupling constants in fluorobenzene derivatives" (2011) Vilcachagua, J.D.;Ducati, L.C.;Rittner, R. (...)Tormena, C.F. Journal of Physical Chemistry A. 115(7):1272-1279
"NMR spin-spin coupling constants and hyperconjugative interactions" (2010) Contreras, R.H.;Suardíaz, R.;Pérez, C. (...)De La García Vega, J.M. International Journal of Quantum Chemistry. 110(3):532-539
"NMR spin-spin coupling constants and hyperconjugative interactions" (2010) Contreras, R.H.;Suardíaz, R.;Pérez, C. (...)De La García Vega, J.M. International Journal of Quantum Chemistry. 110(3):532-539
"Effect of sulfur oxidation on the transmission mechanism of4JHH NMR coupling constants in 1,3-dithiane" (2009) Gauze, G.F.; Basso, E.A.; Contreras, R.H.; Tormena, C.F. Journal of Physical Chemistry A. 113(11):2647-2651
"Qualitative study of substituent effects on NMR15N and 17O chemical shifts" (2009) Contreras, R.H.;Llórente, T.;Pagola, G.I. (...)Tormena, C.F. Journal of Physical Chemistry A. 113(36):9874-9880
"Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides" (2008) Pedersoli, S.;Tormena, C.F.;dos Santos, F.P. (...)Rittner, R. Journal of Molecular Structure. 891(1-3):508-513
"Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides" (2008) Pedersoli, S.;Tormena, C.F.;dos Santos, F.P. (...)Rittner, R. Journal of Molecular Structure. 891(1-3):508-513
"Analysis of the electronic origin of the1JCH spin-spin coupling trend in 1-X-cyclopropanes: Experimental and DFT study" (2008) Neto, Á.C.;Dos Santos, F.P.;Contreras, R.H. (...)Tormena, C.F. Journal of Physical Chemistry A. 112(46):11956-11959
"Experimental and theoretical investigation of NMR2JHH coupling constant on six-membered ring systems containing oxygen or sulfur atoms" (2007) Tormena, C.F.;Vilcachagua, J.D.;Karcher, V. (...)Contreras, R.H. Magnetic Resonance in Chemistry. 45(7):590-594
"Transmission mechanisms of NMR long-range J(13C,19F) scalar couplings in 1-F,4-X-cubanes: A DFT and experimental study" (2006) Contreras, R.H.;ESTEBANz, Á.L.;Díez, E. (...)Della, E.W. Molecular Physics. 104(4):485-492
"Substituent effects on scalar J(13C, 13C) couplings in pyrimidines. An experimental and DFT study" (2004) De Kowalewski, D.G.;Díez, E.;Esteban, A.L. (...)Contreras, R.H. Magnetic Resonance in Chemistry. 42(11):938-943
"Computation and analysis of 19F substituent chemical shifts of some bridgehead-substituted polycyclic alkyl fluorides" (2003) Adcock, W.; Peralta, J.E.; Contreras, R.H. Magnetic Resonance in Chemistry. 41(7):503-508
"NMR 3J(C1,H3) couplings in 1-X-bicyclo[1.1.1]pentanes. FPT-DFT and NBO studies of hyperconjugative interactions and heavy atom substituent effects" (2001) Barone, V.; Peralta, J.E.; Contreras, R.H. Journal of Computational Chemistry. 22(14):1615-1621