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A new theory rationalizing molecular magnetic susceptibility in terms of atomic contribution is presented. The proposed atomic susceptibilities are proved numerically to be near gauge independent. A first set of theoretical atomic magnetic susceptibilities for O, N, C, and H, obtained from calculations of magnetic properties of water, ammonia, and methane molecules which are among the best available so far, is given.
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Zanasi et al. (1986) studied this question.
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