Chemical reactivity, solvent effects, spectroscopic (FTIR, Raman, SERS, UV–Visible), Hirshfeld analyses and antimalarial investigation of 3-Acetylbenzoic acid

The antimalarial compound 3-AcetylBenzoic acid (3ABA) was characterized by spectroscopic and UV–Visible spectral techniques. The most stable structure of 3ABA molecule was studied for PES analysis. The geometrical optimization, spectral investigations (Infrared and Raman were performed), electronic...

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Bibliographic Details

Published in:	Chemical Physics Impact
Main Authors:	G. Vijayakumari, N. Iyandurai, M. Raja, V. Vetrivelan, A. Thamarai, Saleem Javed, S. Muthu
Format:	Article
Language:	English
Published:	Elsevier 2023-06-01
Subjects:	DFT FTIR MEP Molecular docking
Online Access:	http://www.sciencedirect.com/science/article/pii/S2667022423000300