Magnetic Interactions in a [Co(II)3Er(III)(OR)4] Model Cubane through Forefront Multiconfigurational Methods
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DOI: 10.1021/acs.jctc.2c01318
Abstract: Strong electron correlation effects are one of the major challenges in modern quantum chemistry. Polynuclear transition metal clusters are peculiar examples of systems featuring such forms of electron correlation. Multireference strategies, often based on but… read more here.
Keywords: 3er iii; magnetic interactions; model cubane; spin ... See more keywords