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- W1975024777 abstract "We investigated the spin structure of a bi-pyramidal Cr5 cluster using ab initio linear combination of Gaussian type orbitals generalized spin density functional theory. We found that a three-dimensional spin state is most stable among several candidates for stable spin structures." @default.
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- W1975024777 date "2004-05-01" @default.
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- W1975024777 title "Ab initio density functional approach for noncollinear molecular magnetism of multicenter metal clusters" @default.
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- W1975024777 doi "https://doi.org/10.1016/j.jmmm.2003.12.1204" @default.
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