For lithium–sulfur (Li–S) batteries to become competitive, they require high stability and energy density. Organosulfur polymer-based cathodes have recently shown promising …
T Vikramaditya, ST Lin - Journal of Computational Chemistry, 2019 - Wiley Online Library
Prediction of accurate geometries is a prerequisite for accurate prediction of molecular properties. Impact of Hartree Fock (HF) exchange (a0) on geometry in the framework of DFT …