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Palabras contadas: fermi: 7, level: 182
Melo, J.I. - Ruiz De Azua, M.C. - Giribet, C.G. - Aucar, G.A. - Provasi, P.F.
J Chem Phys 2004;121(14):6798-6808
2004

Descripción: Relativistic effects on nuclear magnetic shielding constants in HX and CH 3X, where X is either Br or I, were investigated using elimination of small component (ESC) approach. The values of σ(X) were found to affected by relativistic corrections. Large negative contributions correcting the dimagnetic terms were observed that when the effect of electron-positron rotations was included within RC-ESC approach. The results show that some overall shifts from HX to CH 3X is dominated by nonrelativistic effects.
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Tipo de documento: info:ar-repo/semantics/artículo