ArticleJournal of molecular modeling2026
15-Crown-5-based metalides: computational insights into excess electrons and enhanced NLO response.
Article in Journal of molecular modeling, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Authors and funding
7 authors.
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Abstract
contextThis study explores a new category of excess electrons, a metalide complexes based on 15-crown-5, i.e., AM
methodsAll the density functional theory calculations were performed at ωB97X-D functional with 6-31 + G (d,p) and LANL2DZ basis set in Gaussian 16. The GaussView 6.0 and Multiwfn software were used to analyze electronic properties and view geometries of complexes.
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