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Contreras, Rubén Horacio
139
Journal of Molecular Structure: THEOCHEM
21
"MNDO and INDO geometrical dependences of the hydrogen diamagnetic shielding tensor of some small molecules" (1981) Ferraro, M.B.; Carrilho, M.V.; Facelli, J.C.; Contreras, R.H. Journal of Molecular Structure: THEOCHEM. 86(1-2):63-67
"Transmission mechanisms of chalcogen-carbon coupling constants in selenophene and tellurophene according to the PRMO-SCPT-INDO method" (1983) Natiello, M.A.; Scuseria, G.E.; Contreras, R.H. Journal of Molecular Structure: THEOCHEM. 105(1-2):233-236
"The importance of the localization of the π-electron system on its ability to transmit the fermi contact term of HH coupling constants. A theoretical and experimental study" (1983) Facelli, J.C.;Contreras, R.H.;de Kowalewski, D.G. (...)Piegala, R.N. Journal of Molecular Structure: THEOCHEM. 94(1-2):163-172
"Analysis of the phosphorus lone-pair orientational effect on 31P13C couplings in 7-(phosphamethyl)norbornene" (1988) Aucar, G.A.;Giribet, C.G.;De Azúa, M.C.R. (...)Contreras, R.H. Journal of Molecular Structure: THEOCHEM. 164(1-2):1-15
"Analysis of the diamagnetic spin-orbital contribution to indirect nuclear spin-spin coupling constants" (1990) Pérez, J.E.;Ortiz, F.S.;Contreras, R.H. (...)De Azúa, M.C.R. Journal of Molecular Structure: THEOCHEM. 210(C):193-198
"Localization method for semiempirical molecular orbitals based on the boys-foster criterion" (1990) Cavasotto, C.N.; Giribet, C.G.; Contreras, R.H. Journal of Molecular Structure: THEOCHEM. 210(C):107-110
"Quantum chemical analysis of the orientational lone-pair effect on spin-spin coupling constants" (1990) Contreras, R.H.;Giribet, C.G.;De Azúa, M.C.R. (...)Krivdin, L.B. Journal of Molecular Structure: THEOCHEM. 210(C):175-186
"Analysis of multipath transmission of spin-spin coupling constants in 1-x-bicycloalkanes. Part II. Additivity of coupling pathways" (1990) Aucar, G.A.; De Azúa, M.C.R.; Giribet, C.G.; Contreras, R.H. Journal of Molecular Structure: THEOCHEM. 205(C):79-88
"Analysis of multipath transmission of spin-spin coupling constants in 1-X-bicycloalkanes. Part I. The through-space transmission via the bridgehead carbon atoms" (1990) Aucar, G.A.;Zunino, V.;Ferraro, M.B. (...)Contreras, R.H. Journal of Molecular Structure: THEOCHEM. 205(C):63-77
"Large spin-dipolar long-range F-F coupling constants in conjugative compounds: their study using propagators" (1990) Peruchena, N.M.; Aucar, G.A.; Contreras, R.H. Journal of Molecular Structure: THEOCHEM. 210(C):205-210
"Molecular orbital theory: diagramatic representation of the contribution of the magnetic anisotropy effect on the magnetic shielding constant" (1990) Ferraro, M.B.; Contreras, R.H. Journal of Molecular Structure: THEOCHEM. 210(C):187-192
"Ab initio study of the nitrogen lone-pair proximity effect on a methyl C-H bond in 2-methylpyridine" (1992) Tufró, M.F.; Contreras, R.H.; Facelli, J.C. Journal of Molecular Structure: THEOCHEM. 254(C):271-277
"Theoretical comparison of proximate peri and ortho substituent effects on proton chemical shifts" (1992) Herr, T.; Ferraro, M.B.; Contreras, R.H. Journal of Molecular Structure: THEOCHEM. 254(C):253-259
"Viewpoint 8 - polarization propagator analysis of spin-spin coupling constants" (1993) Contreras, R.H.;de Azúa, M.C.R.;Giribet, C.G. (...)de Bonczok, R.L. Journal of Molecular Structure: THEOCHEM. 284(3):249-269
"Proximity effects on the nuclear magnetic shielding tensor. Part 1. An ab initio study of 17O and 19F chemical shifts in the proximity of a methyl group" (1993) Facelli, J.C.; Contreras, R.H.; Tufró, M.F. Journal of Molecular Structure: THEOCHEM. 281(1):61-66
"Topological analysis of hydrogen bonding interactions involving C-H...O bonds" (1997) Sosa, G.L.; Peruchena, N.; Contreras, R.H.; Castro, E.A. Journal of Molecular Structure: THEOCHEM. 401(1-2):77-85
"Natural bond orbitals analysis of C-H ··· O interactions in NCH/H2O and NCH/OCH2, and their effect on nuclear magnetic shielding constants" (1999) Peralta, J.E.; Ruiz De Azúa, M.C.; Contreras, R.H. Journal of Molecular Structure: THEOCHEM. 491(1-3):23-31
"Interactions that define the alkylamine side-chain conformation in phenylalkylamine hallucinogens: An ab initio study" (2000) Taurian, O.E.; Contreras, R.H. Journal of Molecular Structure: THEOCHEM. 504(1-3):119-126
"Topological and NBO analysis of hydrogen bonding interactions involving C-H···O bonds" (2002) Sosa, G.L.; Peruchena, N.M.; Contreras, R.H.; Castro, E.A. Journal of Molecular Structure: THEOCHEM. 577(2-3):219-228