logo biblio digital exactas
logo twitter logo instagram logo whatsapp logo mail

Navegar

Colección

Datos Estadísticas

Lista de

Magnetic shielding
23
"Foundations of the LRESC model for response properties and some applications" (2018) Aucar, G.A.; Melo, J.I.; Aucar, I.A.; Maldonado, A.F. International Journal of Quantum Chemistry. 118(1)
"Role of Spin-Dependent Terms in the Relationship among Nuclear Spin-Rotation and NMR Magnetic Shielding Tensors" (2016) Aucar, I.A.; Gomez, S.S.; Giribet, C.G.; Aucar, G.A. Journal of Physical Chemistry Letters. 7(24):5188-5192
"Revisiting NMR through-space J FF spin-spin coupling constants for getting insight into proximate F-F interactions" (2014) Contreras, R.H.; Llorente, T.; Ducati, L.C.; Tormena, C.F. Journal of Physical Chemistry A. 118(27):5068-5075
"Unexpected geometrical effects on paramagnetic spin-orbit and spin-dipolar 2 J FF couplings" (2012) Ducati, L.C.; Contreras, R.H.; Tormena, C.F. Journal of Physical Chemistry A. 116(20):4930-4933
"Relativistic effects on nuclear magnetic shieldings of CHnX 4-n and CHXYZ (X, Y, Z = H, F, Cl, Br, I)" (2012) Melo, J.I.; Maldonado, A.F.; Aucar, G.A. Journal of Chemical Physics. 137(21)
"Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non-relativistic nuclei" (2012) Aucar, I.A.; Gómez, S.S.; De Azúa, M.C.R.; Giribet, C.G. Journal of Chemical Physics. 136(20)
"Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: A comparison of three relativistic computational methods" (2011) Arcisauskaite, V.; Melo, J.I.; Hemmingsen, L.; Sauer, S.P.A. Journal of Chemical Physics. 135(4)
"Relativistic two-component geometric approximation of the electron-positron contribution to magnetic properties in terms of Breit-Pauli spinors" (2009) Zaccari, D.; Melo, J.I.; Ruiz De Azúa, M.C.; Giribet, C.G. Journal of Chemical Physics. 130(8)
"Electric quadrupole polarizabilities of nuclear magnetic shielding in some small molecules" (2008) Ferraro, M.B.; Caputo, M.C.; Pagola, G.I.; Lazzeretti, P. Journal of Chemical Physics. 128(4)
"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)
"Formal relations connecting different approaches to calculate relativistic effects on molecular magnetic properties" (2006) Zaccari, D.G.; De Azúa, M.C.R.; Melo, J.I.; Giribet, C.G. Journal of Chemical Physics. 124(5)
"Calculation of the fourth-rank nuclear magnetic hypershielding of some small molecules" (2006) Pagola, G.I.; Caputo, M.C.; Ferraro, M.B.; Lazzeretti, P. Physical Review A - Atomic, Molecular, and Optical Physics. 74(2)
"Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule" (2005) Ferraro, M.B.;Faglioni, F.;Ligabue, A. (...)Lazzeretti, P. Magnetic Resonance in Chemistry. 43(4):316-320
"Relativistic corrections to the diamagnetic term of the nuclear magnetic shielding: Analysis of contributions from localized orbitals" (2005) Gómez, S.S.;Melo, J.I.;Romero, R.H. (...)De Azúa, M.R. Journal of Chemical Physics. 122(6)
"Relativistic effects on nuclear magnetic shielding constants in HX and CH 3X(X=Br,l) based on the linear response within the elimination of small component approach" (2004) Melo, J.I.;Ruiz De Azua, M.C.;Giribet, C.G. (...)Provasi, P.F. Journal of Chemical Physics. 121(14):6798-6808
"Calculation of the fourth-rank molecular hypermagnetizability of some small molecules" (2004) Pagola, G.I.; Caputo, M.C.; Ferraro, M.B.; Lazzeretti, P. Journal of Chemical Physics. 120(20):9556-9560
"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
"Angular dependence of spin-spin coupling constants" (2000) Contreras, R.H.; Peralta, J.E. Progress in nuclear magnetic resonance spectroscopy. 37(4):321-425