T. Devi

Molecular Recognition of Dopamine–Diazepam Biomolecular Complex for Implication in Anxiety Disorders Using the DFT and Molecular Docking Methods

The intermolecular charge transfer processes, such as n→ σ, n→ π, and σ→ π, are detected, indicating delocalization that results in increased reactive interactions, ultimately contributing to active participation in the formation of the biomolecular complex.