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Fermi contact
11
"Critical analysis of the through-space transmission of NMR J FH spin-spin coupling constants" (2012) Contreras, R.H.; Ducati, L.C.; Tormena, C.F. International Journal of Quantum Chemistry. 112(19):3158-3163
"Effect of electronic interactions on NMR 1JCF and 2JCF couplings in cis- and trans-4-t-butyl-2- fluorocyclohexanones and their alcohol derivatives" (2011) Anizelli, P.R.; Favaro, D.C.; Contreras, R.H.; Tormena, C.F. Journal of Physical Chemistry A. 115(22):5684-5692
"Stereochemical dependence of 3J CH coupling constants in 2-substituted 4-t-butyl-cyclohexanone and their alcohol derivatives" (2011) Favaro, D.C.;Ducati, L.C.;Dos Santos, F.P. (...)Tormena, C.F. Journal of Physical Chemistry A. 115(50):14539-14545
"Experimental, SOPPA(CCSD), and DFT analysis of substitutent effects on NMR 1 JCF coupling constants in fluorobenzene derivatives" (2011) Vilcachagua, J.D.;Ducati, L.C.;Rittner, R. (...)Tormena, C.F. Journal of Physical Chemistry A. 115(7):1272-1279
"Analysis of canonical molecular orbitals to identify fermi contact coupling pathways. 1. Through-space transmission by overlap of 31P lone Pairs" (2010) Contreras, R.H.;Gotelli, G.;Ducati, L.C. (...)Tormena, C.F. Journal of Physical Chemistry A. 114(2):1044-1051
"Analysis of singular operators in the relativistic calculation of magnetic molecular properties" (2007) Zaccari, D.; Ruiz De Azúa, M.C.; Giribet, C.G. Physical Review A - Atomic, Molecular, and Optical Physics. 76(2)
"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
"Relativistic effects on the nuclear magnetic shielding tensor" (2003) Melo, J.I.;Ruiz de Azua, M.C.;Giribet, C.G. (...)Romero, R.H. Journal of Chemical Physics. 118(2):471-486
"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
"NMR 1J(HD) coupling in HD as a function of interatomic distance in the presence of an external magnetic field" (2000) Vizioli, C.V.; Ruiz De Azúa, M.C. Molecular Physics. 98(13):891-897
"On the convergence of FPT-DFT calculations of the Fermi contact contribution to NMR coupling constants" (2000) Peralta, J.E.; Ruiz De Azúa, M.C.; Contreras, R.H. Theoretical Chemistry Accounts. 105(2):165-168