Spectroscopic, quantum computational, topological, Fukui functions and molecular docking analysis on a potential anti-cancer molecule Nicotinamide by DFT method

2023/11/30 by K. Rajkumar, Kothandaraman Rajkumar, V. Gokulakrishnan +3
Materials Science · Medicine · Chemistry · #Nonlinear Optical Materials Research #Metal complexes synthesis and properties #Synthesis and biological activity

paper · doi:10.1016/j.molstruc.2023.137216

Citations

• A simple measure of electron localization in atomic and molecular systems