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Relativistic effects
12
"Relativistic corrections to the electric field gradient given by linear response elimination of the small component formalism"
(2019) Melo, J.I.; Maldonado, A.F. International Journal of Quantum Chemistry
"Relativistic corrections to the electric field gradient given by linear response elimination of the small component formalism"
(2019) Melo, J.I.; Maldonado, A.F. International Journal of Quantum Chemistry
"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)
"The influence of relativistic effects on nuclear magnetic resonance spin–spin coupling constant polarizabilities of H2O2, H2S2, H2Se2, and H2Te2"
(2018) Pagola, G.I.; Larsen, M.A.B.; Ferraro, M.; Sauer, S.P.A. Journal of Computational Chemistry. 39(31):2589-2600
"The influence of relativistic effects on nuclear magnetic resonance spin–spin coupling constant polarizabilities of H2O2, H2S2, H2Se2, and H2Te2"
(2018) Pagola, G.I.; Larsen, M.A.B.; Ferraro, M.; Sauer, S.P.A. Journal of Computational Chemistry. 39(31):2589-2600
"Core-dependent and ligand-dependent relativistic corrections to the nuclear magnetic shieldings in MH4−nYn (n = 0–4; M = Si, Ge, Sn, and Y = H, F, Cl, Br, I) model compounds"
(2014) Maldonado, A.F.; Aucar, G.A.; Melo, J.I. Journal of Molecular Modeling. 20(9)
"Theoretical study of the relativistic molecular rotational g-tensor"
(2014) Aucar, I.A.; Gomez, S.S.; Giribet, C.G.; Ruiz De Azúa, M.C. Journal of Chemical Physics. 141(19)
"Breit interaction effects in relativistic theory of the nuclear spin-rotation tensor"
(2013) Aucar, I.A.; Gómez, S.S.; Giribet, C.G.; Ruiz De Azúa, M.C. Journal of Chemical Physics. 139(9)
"Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non-relativistic nuclei. II. Quantitative results in HX (X=H,F,Cl,Br,I) compounds"
(2013) Aucar, I.A.;Gómez, S.S.;Melo, J.I. (
...
)Ruiz De Azúa, M.C. Journal of Chemical Physics. 138(13)
"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)
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