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Diamagnetic contribution extraction

As indicated, the possibility of orbital decomposition is retained in the diamagnetic and paramagnetic terms in eqs.(29,30). The value for the paramagnetic shielding contribution extracted via eq.(30) does not, of course, correspond to a well-defined basis set, but is at the same level of numerical quality as the LORG calculation used for the total shielding. [Pg.203]

To extract the electron spin susceptibility for this plot, two models were used to correct for the diamagnetic contribution The theory of... [Pg.58]

See other pages where Diamagnetic contribution extraction is mentioned: [Pg.400]    [Pg.5]    [Pg.357]    [Pg.126]    [Pg.144]    [Pg.209]    [Pg.29]    [Pg.357]    [Pg.300]   
See also in sourсe #XX -- [ Pg.300 ]



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