ArticleJournal of molecular modeling2026
Systematic investigation of density functional theory methods for diorganotin 1,3-dithiole-2-thione-4,5-dithiolate complexes, R
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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Abstract
contextOrganotin complexes have been extensively studied due to their versatile structural features and potential applications in catalysis, materials science, and bioinorganic chemistry. Among them, compounds containing Sn-S interactions are of particular interest, as the tin-sulfur bond strongly affects both the stability and the electronic properties of the complexes. In addition, theoretical studies on 1,3-dithiole-2-thione-4,5-dithiolate systems have attracted considerable attention because of their potential technological applications.
methodsDensity functional theory calculations were performed to evaluate the performance of different exchange-correlation functionals in describing the structural and spectroscopic properties of R
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