American Chemical Society, Inorganic Chemistry, 16(51), p. 8646-8648, 2012
DOI: 10.1021/ic301085t
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A complete computational study of the magnetic properties of the two known phases of the bistable (BDTA)(2)[Co(mnt)(2)] compound is presented. The origin of their different magnetic properties can be traced to a variation in the values of the g tensor, together with a hitherto unknown change in the J(AB) values and their magnetic topology.