An Assessment of Computational Methods for Calculating Accurate Structures and Energies of Bio-Relevant Polysulfur/Selenium-Containing Compounds

The heavier chalcogens sulfur and selenium are important in organic and inorganic chemistry, and the role of such chalcogens in biological systems has recently gained more attention. Sulfur and, to a lesser extent selenium, are involved in diverse reactions from redox signaling to antioxidant activi...

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Bibliographic Details
Main Authors: Sahar Nikoo, Paul J. Meister, John J. Hayward, James W. Gauld
Format: Article
Language:English
Published: MDPI AG 2018-12-01
Series:Molecules
Subjects:
DFT
Online Access:https://www.mdpi.com/1420-3049/23/12/3323