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Contreras, Rubén Horacio

139

1981

5

"Transmission mechanisms of inter‐proton long‐range couplings in substituted anisoles" (1981) de Kowalewski, D.G.;Contreras, R.H.;Engelmann, A.R. (...)Durán, J.C. Organic Magnetic Resonance. 17(3):199-203

"The use of partially restricted molecular orbitals to investigate transmission mechanisms of spin-spin coupling constants. I. The σ and π contributions within the FPT INDO method" (1981) Engelmann, A.R.; Contreras, R.H.; Facelli, J.C. Theoretica Chimica Acta. 59(1):17-24

"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

"Inclusion of hydrogen p orbitals in the semiempirical calculation of NMR parameters. III: INDO CHF calculations of orbital and dipolar contributions to spin–spin coupling constants involving protons" (1981) Facelli, J.C.; Contreras, R.H. International Journal of Quantum Chemistry. 20(4):909-919

"Inclusion of hydrogen p orbitals in the semiempirical calculation of NMR parameters. II. Influence on the geometrical dependence of the FPT-INDO spin-spin coupling constants" (1981) Facelli, J.C.; Contreras, R.H. Journal of Molecular Structure: THEOCHEM. 85(1-2):99-106

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