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• W2014740076 abstract "Three-coordinate conformation dichotomy: DFT calculations of the g and A(61Ni, 13C) tensors allow for distinction between T and Y conformations of three-coordinate carbonyl complexes of NiI. Computational spectroscopy studies showed that both conformations are characterized by diagnostic EPR signals (see figure). The characteristic features of the conformations are expected to be applicable for other three-coordinate complexes." @default.
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• W2014740076 date "2009-11-02" @default.
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• W2014740076 title "Resolving Conformation Dichotomy for Y- and T-Shaped Three-Coordinate Ni^ICarbonyl Complexes with Relativistic DFT Analysis of EPR Fingerprints" @default.
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• W2014740076 doi "https://doi.org/10.1002/chem.200901805" @default.
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