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Barone, Verónica
10
Molecular Physics
3
"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
"The spin—orbit/Fermi contact effect on 13C substituent chemical shifts in 1-halo-bicyclo[1.1.1]pentanes" (2003) Barone, V.; Contreras, R.H.; Díez, E.; Esteban, A. Molecular Physics. 101(9):1297-1301
"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