Insights on selenium and tellurium diaryldichalcogenides: A benchmark DFT study

Abstract

Selenium based diaryl dichalcogenides are compounds that are receiving attention in organic synthesis as eco-friendly oxidation agents as well as in pharmaceutical chemistry, where, together with tellurium-based derivatives, are appealing drugs mainly for their antioxidant properties. A benchmark study to establish optimal density functional theory (DFT… (More)
DOI: 10.1002/jcc.24383

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