Vibrational, electronic, spectroscopic properties, and NBO analysis of p-xylene, 3,6-difluoro-p-xylene, 3,6-dichloro-p-xylene and 3,6-dibromo-pxylene: DFT study

Autor: Bisong, Emmanuel A., Louis, Hitler, Unimuke, Tomsmith O., Odey, Joseph O., Ubana, Emmanuel I., Edim, Moses M., Tizhe, Fidelis Timothy, Agwupuye, John A., Utsu, Patrick M.
Zdroj: In Heliyon December 2020 6(12)
Databáze: ScienceDirect