Navegar

Colección

Datos Estadísticas

Lista de

Contreras, Rubén Horacio
139
2001
5
"Through-bond and through-space JFF spin-spin coupling in peridifluoronaphthalenes: Accurate DFT evaluation of the four contributions" (2001) Peralta, J.E.;Barone, V.;Contreras, R.H. (...)Snyder, J.P. Journal of the American Chemical Society. 123(37):9162-9163
"NMR 3J(C1,H3) couplings in 1-X-bicyclo[1.1.1]pentanes. FPT-DFT and NBO studies of hyperconjugative interactions and heavy atom substituent effects" (2001) Barone, V.; Peralta, J.E.; Contreras, R.H. Journal of Computational Chemistry. 22(14):1615-1621
"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
"C-H bond-shortening upon hydrogen bond formation: Influence of an electric field" (2001) Masunov, A.; Dannenberg, J.J.; Contreras, R.H. Journal of Physical Chemistry A. 105(19):4737-4740