biblio
, “What leads to direct epoxidation? an exhaustive DFT investigation of electrophilic oxygen mediated epoxidation of ethylene on Ag(100)”, Computational Materials Science , vol. 239, 2024.
, “Role of facet in the competitive pathway of ethylene epoxidation”, Surface Science, vol. 716, p. 121954, 2022.
, “Nature of electrophilic oxygen: insights from periodic density functional theory investigations”, Surface Science, vol. 679, pp. 188-195, 2019.