R. C. Deka

Intermolecular interactions of nitrogen-substituted chalcogen heterocycles: From electron density to binding energy landscapes

Nitrogen-substituted chalcogen heterocycles (oxazole, thiazole, and selenazole) are electron-rich aromatic compounds with significant biological relevance. In this study, we investigate their noncovalent interactions with formic acid (FA) using a combination of ab initio and density functional theory methods. Molecular...