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• W2765843979 startingPage "30128" @default.
• W2765843979 abstract "Zero-field splitting tensors of M^III(acac)₃ complexes are calculated using <italic>ab initio</italic> and DFT methods." @default.
• W2765843979 created "2017-11-10" @default.
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• W2765843979 date "2017-01-01" @default.
• W2765843979 modified "2023-10-16" @default.
• W2765843979 title "Behaviour of DFT-based approaches to the spin–orbit term of zero-field splitting tensors: a case study of metallocomplexes, M^III(acac)₃ (M = V, Cr, Mn, Fe and Mo)" @default.
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• W2765843979 doi "https://doi.org/10.1039/c7cp05533a" @default.
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