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Facelli, Julio César
48
Journal of Molecular Structure: THEOCHEM
6
"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
"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
"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
"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
"Modified genetic algorithms to model atomic cluster structures: CuSi clusters" (2004) Oña, O.;Bazterra, V.E.;Caputo, M.C. (...)Facelli, J.C. Journal of Molecular Structure: THEOCHEM. 681(1-3):149-155