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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 2(22), p. 781-798, 2020

DOI: 10.1039/c9cp04643g

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Electronic structure calculations permit identification of the driving forces behind frequency shifts in transition metal monocarbonyls

This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Our direct DFT decomposition of CO frequency shifts updates the paradigm for metal carbonyl binding.