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DFT Investigation of CO 2 Adsorption on Cu 4 and Sc 4 Clusters: Effects of Functional Choice, Spin State, and Vibrational Stability.

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Title: DFT Investigation of CO 2 Adsorption on Cu 4 and Sc 4 Clusters: Effects of Functional Choice, Spin State, and Vibrational Stability.
Authors: Ortiz-Paternina, Katherine1 (AUTHOR), Ortega-Toro, Rodrigo2 (AUTHOR), Hernández-Fernández, Joaquín1,3 (AUTHOR)
Source: Inorganics. May2026, Vol. 14 Issue 5, p136. 28p.
Database: Academic Search Ultimate
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ISSN:23046740
DOI:10.3390/inorganics14050136