LAZHAR BOUCHLALEG; ZIDANI SARA; BAIRA FAYÇAL; YAMINA BENKRIMA. Ab Initio and Density Functional Theory Investigation of the Structural, Vibrational, and Electronic Properties of Thiohydantoin: A Quantum Chemical Approach to Molecular Reactivity and Substituent Effects. International Journal of Computational and Experimental Science and Engineering, [S. l.], v. 12, n. 2, 2026. DOI: 10.22399/ijcesen.5303. Disponível em: https://ijcesen.com/index.php/ijcesen/article/view/5303. Acesso em: 19 oct. 2026.