Shabbir Muhammad

Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study

K. Ayub, I. Bayach, M. Yar, 2023, ACS omega.

Molecular Engineering of Anthracene Core-Based Hole-Transporting Materials for Organic and Perovskite Photovoltaics

Riaz Hussain, Zobia Irshad, Muhammad Adnan, 2023, ACS omega.

Tailoring the donor moieties in TPA‐based organic dyes for efficient photovoltaic, optical and nonlinear optical response properties

M. A. Gilani, Shamsa Bibi, A. R. Chaudhry, 2024, International Journal of Quantum Chemistry.

Impact of end‐capped engineering on the optoelectronic characteristics of pyrene‐based non‐fullerene acceptors for organic photovoltaics

Zobia Irshad, Muhammad Adnan, R. A. Shehzad, 2024, International Journal of Quantum Chemistry.

Computational prediction for designing novel ketonic derivatives as potential inhibitors for breast cancer: A trade-off between drug likeness and inhibition potency

Shamsa Bibi, A. R. Chaudhry, M. I. Tousif, 2024, Comput. Biol. Chem..