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Contreras, Rubén Horacio
139
Journal of Physical Chemistry A
13
"C-H bond-shortening upon hydrogen bond formation: Influence of an electric field" (2001) Masunov, A.; Dannenberg, J.J.; Contreras, R.H. Journal of Physical Chemistry A. 105(19):4737-4740
"DFT calculation of NMR JFF spin-spin coupling constants in fluorinated pyridines" (2002) Barone, V.; Peralta, J.E.; Contreras, R.H.; Snyder, J.P. Journal of Physical Chemistry A. 106(23):5607-5612
"Substituent effects on scalar 2J(19F,19F) and 3J(19F,19F) NMR couplings: A comparison of SOPPA and DFT methods" (2003) Barone, V.;Provasi, P.F.;Peralta, J.E. (...)Contreras, R.H. Journal of Physical Chemistry A. 107(23):4748-4754
"Experimental and theoretical study of hyperconjugative interaction effects on NMR1JCH scalar couplings" (2006) Contreras, R.H.;Esteban, Á.L.;Díez, E. (...)Tormena, C.F. Journal of Physical Chemistry A. 110(12):4266-4275
"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
"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
"Analysis of canonical molecular orbitals to identify fermi contact coupling pathways. 1. Through-space transmission by overlap of 31P lone Pairs" (2010) Contreras, R.H.;Gotelli, G.;Ducati, L.C. (...)Tormena, C.F. Journal of Physical Chemistry A. 114(2):1044-1051
"Effect of electronic interactions on NMR 1JCF and 2JCF couplings in cis- and trans-4-t-butyl-2- fluorocyclohexanones and their alcohol derivatives" (2011) Anizelli, P.R.; Favaro, D.C.; Contreras, R.H.; Tormena, C.F. Journal of Physical Chemistry A. 115(22):5684-5692
"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
"Stereochemical dependence of 3J CH coupling constants in 2-substituted 4-t-butyl-cyclohexanone and their alcohol derivatives" (2011) Favaro, D.C.;Ducati, L.C.;Dos Santos, F.P. (...)Tormena, C.F. Journal of Physical Chemistry A. 115(50):14539-14545
"Unusual through-space, TS, pathway for the transmission of JFHf coupling: 2-fluorobenzaldehyde study case" (2013) Favaro, D.C.; Contreras, R.H.; Tormena, C.F. Journal of Physical Chemistry A. 117(33):7939-7945
"Revisiting NMR through-space J FF spin-spin coupling constants for getting insight into proximate F-F interactions" (2014) Contreras, R.H.; Llorente, T.; Ducati, L.C.; Tormena, C.F. Journal of Physical Chemistry A. 118(27):5068-5075