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Peralta, Juan Ernesto
23
Molecular Physics
2
"Finite perturbation theory-density functional theory calculation of the spin-dipolar contribution to NMR spin-spin coupling constants" (2001) Peralta, J.E.; Barone, V.; Ruiz de Azúa, M.C.; Contreras, R.H. Molecular Physics. 99(8):655-661
"Prediction of vicinal proton-proton coupling constants 3J HH from density functional theory calculations" (2005) Díez, E.;Casanueva, J.;San Fabián, J. (...)Contreras, R.H. Molecular Physics. 103(9):1307-1326