Ab initio and 17O NMR study of aromatic compounds with dicoordinate oxygen atoms. 2. Intramolecular hydrogen bonding in hydroxy- and methoxybenzene derivatives

por Orendt, A.M., Biekofsky, R.R., Pomilio, A.B., Contreras, R.H., Facelli, J.C.
Publicado 1991

Comment on "Intrinsic convergence in close-shell SCF calculations. A general criterion"

por Facelli, J.C., Contreras, R.H.
Publicado 1982

Proximity effects on nuclear spin-spin coupling constants. 1. 1J(CH) couplings in the vicinity of an atom bearing lone pairs

por Vizioli, C., De Ruiz Azúa, M.C., Giribet, C.G., Contreras, R.H., Turi, L., Dannenberg, J.J., Rae, I.D., Weigold, J.A., Malagoli, M., Zanasi, R., Lazzeretti, P.
Publicado 1994

Ab initio and 17O NMR studies of the substituent effects on the tautomeric equilibrium in 6-X-1H-2-pyridones

por Facelli, J.C., Orendt, A.M., Contreras, R.H., Tufró, M.F., De Kowalewski, D.G.
Publicado 1992

A general relation between the intrinsic convergence properties of SCF Hartree-Fock calculations and the stability conditions of their solutions

por Facelli, J.C., Contreras, R.H.
Publicado 1983

Effects of electronic resonance interaction on the methoxy group NMR parameters. Theoretical and experimental study of substituted 2-methoxypyridines

por Contreras, R.H., Biekofsky, R.R., De Kowalewski, D.G., Orendt, A.M., Facelli, J.C.
Publicado 1993