Saad M. Alshehri

Deciphering the impact of superalkali metals [M3O (M = Li, Na, K)] doping on sulflower for enhanced NLO responses with efficient energetic offsets: A density functional theory perspective

M. A. Gilani, A. Hassan, Junaid Yaqoob, 2024, Computational and Theoretical Chemistry.

Elucidating the mechanistic sensing capability of novel tetragonal graphene quantum dot towards tobacco alkaloids: a DFT study

M. A. Gilani, A. Hassan, Muhammad Usman Khan, 2024, Structural Chemistry.

Exploring the impact of end-capped moieties on nonlinear optical response in d-π-a configurated based organoboron derivatives: A DFT/TD-DFT study

Iqra Shafiq, Saifullah Bullo, K. Munawar, 2024, Computational and Theoretical Chemistry.

Synthesis and Antioxidant Studies of 2,4-Dioxothiazolidine-5-acetic Acid Based Organic Salts: SC-XRD and DFT Approach

Muhammad Mohsin Tahir, M. Bhatti, Erum Jabeen, 2023, ACS omega.