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Facelli, Julio César

48

Journal of Molecular Structure

4

"The contribution of molecular vibrations to calculated spin-spin coupling constants: A comparison of different commonly-used methods" (1979) Facelli, J.C.; Contreras, R.H.; Scuseria, G.E.; Engelmann, A.R. Journal of Molecular Structure. 57(C):299-303

"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

"Modeling NMR chemical shifts: Surface charge representation of the electrostatic embedding potential modeling of crystalline intermolecular effects in 19 F solid state NMR chemical shifts" (2002) Solís, D.; Ferraro, M.B.; Facelli, J.C. Journal of Molecular Structure. 602-603:159-164

"The origin of the splitting of 13C and 15N NMR signals of 3(5)-phenyl-5(3)-methylpyrazolium chloride and bromide in the solid state: Quantum Espresso calculations" (2014) Alkorta, I.;Claramunt, R.M.;Elguero, J. (...)Reviriego, F. Journal of Molecular Structure. 1075:551-558

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