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Contreras, Rubén Horacio
139
International Journal of Quantum Chemistry
13
"Inclusion of hydrogen p orbitals in the semiempirical calculation of NMR parameters. I. Influence on the FPT INDO spin–spin coupling constants" (1980) Facell, J.C.; Contreras, R.H. International Journal of Quantum Chemistry. 18(5):1175-1185
"A theoretical study of medium effects on the transmission mechanisms of the fermi contact term of spin–spin coupling constants in the acetamide molecule" (1984) Facelli, J.C.; Giribet, C.G.; Contreras, R.H. International Journal of Quantum Chemistry. 25(3):515-525
"A polarization propagator analysis of through‐space spin‐spin coupling constants: 19F‐19F couplings" (1986) De Azua, M.C.R.;Diz, A.C.;Giribet, C.G. (...)Rae, I.D. International Journal of Quantum Chemistry. 30(20 S):585-601
"Ab initio calculations of through‐space nuclear spin—spin coupling constants with the IPPP method" (1986) Scuseria, G.E.; Contreras, R.H. International Journal of Quantum Chemistry. 30(20 S):603-612
"The use of localized molecular orbitals and the polarization propagator to identify transmission mechanisms in nuclear spin‐spin couplings" (1990) Diz, A.C.; De Azua, M.C.R.; Giribet, C.G.; Contreras, R.H. International Journal of Quantum Chemistry. 37(5):663-677
"Cloppa RPA-AM1 analysis of the anisotropy of NMR1J(XY) coupling tensors in Me3XY compounds (X = 13C, 29Si, 119Sn, 207Pb; Y = 19F, 35Cl)" (1997) González, J.A.; Aucar, G.A.; Ruiz de Azúa, M.C.; Contreras, R.H. International Journal of Quantum Chemistry. 61(5):823-833
"Electrostatic effect of the polar bond-polarizable bond interaction on 13C chemical shifts" (1998) Peralta, J.E.; De Azúa, M.C.R.; Contreras, R.H. International Journal of Quantum Chemistry. 70(1):105-112
"DFT study of electronic structure of saccharin, thiosaccharin, and their respective ions: Effects of metal coordination on thiosaccharinate electronic structure" (2002) Branda, M.M.;Castellani, N.J.;Tarulli, S.H. (...)Contreras, R.H. International Journal of Quantum Chemistry. 89(6):525-534
"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
"Critical analysis of the through-space transmission of NMR J FH spin-spin coupling constants" (2012) Contreras, R.H.; Ducati, L.C.; Tormena, C.F. International Journal of Quantum Chemistry. 112(19):3158-3163