Methoxy group conformation effects on ¹³C NMR parameters in 1-cis-methoxy- and 1-trans-methoxy-1,3-trans-butadieneESTEBAN, A. L; GALACHE, M. P; DIEZ, E et al.Magnetic resonance in chemistry. 1994, Vol 32, Num 4, pp 199-204, issn 0749-1581Article

Effects of electronic interaction on the methoxy group NMR parameters. Theoretical and experimental study of substituted 2-methoxypyridinesCONTRERAS, R. H; BIEKOFSKY, R. R; DE KOWALEWSKI, D. G et al.Journal of physical chemistry (1952). 1993, Vol 97, Num 1, pp 91-93, issn 0022-3654Article

Ab initio and ¹⁷O NMR study of aromatic compounds with dicoordinate oxygen atoms. II, Intramolecular hydrogen bonding in hydroxy- and methoxybenzene derivativesORENDT, A. M; BIEKOFSKY, R. R; POMILIO, A. B et al.Journal of physical chemistry (1952). 1991, Vol 95, Num 16, pp 6179-6181, issn 0022-3654Article

Through-space transmission of ¹⁹F-¹³C coupling via an intermediate bond. An experimental and theoretical studyRAE, I. D; STAFFA, A; DIZ, A. C et al.Australian journal of chemistry. 1987, Vol 40, Num 12, pp 1923-1940, issn 0004-9425Article

A polarization propagator analysis of the geminal ³¹P-³¹P coupling in bis(difluorophosphino)amineGAVARINI, H. O; NATIELLO, M. A; CONTRERAS, R. H et al.Theoretica chimica acta. 1985, Vol 68, Num 2, pp 171-178, issn 0040-5744Article

Experimental and theoretical study of carbon-fluorine couplings in the N.M.R. spectra of 2-fluoroaryl ketonesCONTRERAS, R. H; GIRIBET, C. G; NATIELLO, M. A et al.Australian journal of chemistry. 1985, Vol 38, Num 12, pp 1779-1784, issn 0004-9425Article

Signs of ¹⁹F-¹H and ¹⁹F-¹³C spin-spin coupling constants mainly transmitted through spaceRAE, I. D; WEIGOLD, J. A; CONTRERAS, R. H et al.Magnetic resonance in chemistry. 1992, Vol 30, Num 11, pp 1047-1050, issn 0749-1581Article

Theoretical comparison of proximate peri and ortho substituent effects on proton chemical shiftsHERR, T; FERRARO, M. B; CONTRERAS, R. H et al.Journal of molecular structure. Theochem. 1992, Vol 254, pp 253-259, issn 0166-1280Conference Paper

²J(Se-Se) couplings in diseleno-substituted alkenylic compounds. A CLOPPA-IPPP analysisCAVASOTTO, C. N; GIRIBET, C. G; RUIZ DE AZUA, M. C et al.Journal of magnetic resonance. 1990, Vol 87, Num 2, pp 209-219, issn 0022-2364, 11 p.Article

Analysis of the diamagnetic spin-orbital contribution to indirect nuclear spin-spin coupling constantsPEREZ, J. E; ORTIZ, F. S; CONTRERAS, R. H et al.Journal of molecular structure. 1990, Vol 210, pp 193-198, issn 0022-2860, 6 p.Conference Paper

A polarization propagator analysis of the geminal ³¹P-³¹P coupling in bis(difluorophosphino)amineGAVARINI, H. O; NATIELLO, M. A; CONTRERAS, R. H et al.Theoretica chimica acta. 1985, Vol 68, Num 2, pp 171-178, issn 0040-5744Article

The through-space transmission of ¹³C-¹⁹F coupling constants via an intermediate bond: a polarization propagator analysisNATIELLO, M. A; CONTRERAS, R. H.Chemical physics letters. 1984, Vol 104, Num 6, pp 568-571, issn 0009-2614Article

A theoretical study of medium effects on the transmission mechanisms of the Fermi contact term of spin-spin coupling constants in the acetamide moleculeFACELLI, J. C; GIRIBET, C. G; CONTRERAS, R. H et al.International journal of quantum chemistry. 1984, Vol 25, Num 3, pp 515-525, issn 0020-7608Article

Viewpoint 8 : polarization propagator analysis of spin-spin coupling constantsCONTRERAS, R. H; RUIZ DE AZUA, M. C; GIRIBET, C. G et al.Journal of molecular structure. Theochem. 1993, Vol 284, Num 3, pp 249-269, issn 0166-1280Article

Electronic origin of high resolution NMR parametersCONTRERAS, R. H; GIRIBET, C. G; RUIZ DE AZUA, M. C et al.Studies in physical and theoretical chemistry. 1992, Vol 77, pp 212-245, issn 0167-6881, BArticle

Calculation of substituent electric fieldsHERR, T; FERRARO, M. B; CONTRERAS, R. H et al.Journal of molecular structure. Theochem. 1992, Vol 254, pp 261-270, issn 0166-1280Conference Paper

The use of localized molecular orbitals and the polarization propagator to identify transmission mechanisms in nuclear spin-spin couplingsDIZ, A. C; RUIZ DE AZUA, M. C; GIRIBET, C. G et al.International journal of quantum chemistry. 1990, Vol 37, Num 5, pp 663-677, issn 0020-7608, 15 p.Article

The use of the SPPA method for the semi-empirical analysis of indirect spin couplings in Si-containing compoundsRIGHINI, R; GIRIBET, C. G; RUIZ DE AZUA, M. C et al.Journal of molecular structure. 1990, Vol 210, pp 199-204, issn 0022-2860, 6 p.Conference Paper

The through-space transmission of ⁷⁷Se-⁷⁷Se coupling constantsCONTRERAS, R. H; GAVARINI, H. O; NATIELLO, M. A et al.Journal of computational chemistry. 1987, Vol 8, Num 3, pp 265-271, issn 0192-8651Article

Transmission mechanisms of four-bond ¹⁹F-¹⁹F coupling constants in fluoropropenes: a theoretical and experimental studyNATIELLO, M. A; CONTRERAS, R. H; GAVARINI, H. O et al.Chemical physics. 1985, Vol 98, Num 2, pp 279-287, issn 0301-0104Article

The through-space transmission of ³¹P-³¹P coupling constantsDIZ, A. C; CONTRERAS, R. H; NATIELLO, M. A et al.Journal of computational chemistry. 1985, Vol 6, Num 6, pp 647-651, issn 0192-8651Article

Conformational analysis in 2,4-dinitrophenol by nuclear Overhauser effect experimentsBALONGA, P. E; VASQUEZ, C; CONTRERAS, R. H et al.Journal of magnetic resonance. 1984, Vol 59, Num 1, pp 58-62, issn 0022-2364Article

A general relation between the intrinsic convergence properties of SCF Hartree-Fock calculations and the stability conditions of their solutionsFACELLI, J. C; CONTRERAS, R. H.The Journal of chemical physics. 1983, Vol 79, Num 7, pp 3421-3423, issn 0021-9606Article

Ab initio and ¹⁷O NMR studies of the substituent effets on the tautomeric equilibrium in 6-X-1H-2-pyridonesFACELLI, J. C; ORENDT, A. M; CONTRERAS, R. H et al.Journal of physical chemistry (1952). 1992, Vol 96, Num 20, pp 7895-7898, issn 0022-3654Article

Ab initio study of the nitrogen lone-pair proximity effect on a methylC-H bond in 2-methylpyridineTUFRO, M. F; CONTRERAS, R. H; FACELLI, J. C et al.Journal of molecular structure. Theochem. 1992, Vol 254, pp 271-277, issn 0166-1280Conference Paper