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Merits of Charge-Shift Relationships

The rigorous theory is well known [114], but approximations for cr and tr are used in the following discussion of results derived by means of the formalism given by Vauthier et al. [115]. [Pg.66]

The point is that this formalism for tr permits a separation into mono-, di-, and triatomic contributions, thus revealing the relative weight of local and distant  [Pg.66]

Similar conclusions are also reached for the magnetic shielding of atoms, as revealed by a detailed study of a series of amines, nitriles, ammonia, pyridine, pyra-zine, pyrimidine, and pyridazine [119]. Their local diamagnetic shielding is virtually [Pg.67]

TABLE 6.1. Paramagnetic Shielding Contributed by Neighboring Atoms (ppm)  [Pg.67]

Molecule (Atom ) Shielding Molecule (Atom ) Shielding [Pg.67]


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