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Contreras, Rubén Horacio

139

1982

6

"Unrestricted Hartree-Fock instabilities in nuclear spin-spin coupling calculations. The MNDO method" (1982) Scuseria, G.E.; Engelmann, A.R.; Contreras, R.H. Theoretica Chimica Acta. 61(1):49-57

"The use of partially restricted molecular orbitals to investigate transmission mechanisms of spin–spin coupling constants. III—an INDO study of long‐range FH couplings in fluorinated derivatives of toluene" (1982) Facelli, J.C.; Giribet, C.G.; Contreras, R.H. Organic Magnetic Resonance. 19(3):138-143

"The use of partially restricted molecular orbitals to investigate transmission mechanisms of spin-spin coupling constants. II. the σ and π contributions to the Fermi contact, orbital, and spin-dipolar terms of SCPT-INDO CC coupling constants" (1982) Engelmann, A.R.; Scuseria, G.E.; Contreras, R.H. Journal of Magnetic Resonance (1969). 50(1):21-29

"The NMR analysis of the methoxy-group conformation in 4-methoxy-2-nitroaniline" (1982) Contreras, R.H.; De Kowalewski, D.G.; Facelli, J.C. Journal of Molecular Structure. 81(1-2):147-149

"Comment on "Intrinsic convergence in close-shell SCF calculations. A general criterion"" (1982) Facelli, J.C.; Contreras, R.H. The Journal of Chemical Physics. 77(2):1076-1077

"A proton NMR analysis of the OCH3 group conformation in 2‐methoxypyridines" (1982) Contreras, R.H.; Facelli, J.C.; de Kowalewski, D.G. Organic Magnetic Resonance. 20(1):40-41

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