DFT, NBO, HOMO-LUMO, NCI, Stability, Fukui Function and Hole – Electron analyses of Tolcapone

Publication date: Available online 18 May 2021Source: Computational and Theoretical ChemistryAuthor(s): I. Antony Danish, J. Jebasingh Kores, T. Sasitha, J. Winfred Jebaraj
Source: Computational and Theoretical Chemistry - Category: Chemistry Source Type: research