Publications

https://doi.org/10.1039/D5NJ02489G The non-biodegradable nature of polyethylene terephthalate (PET) raises concerns about the accumulation of post-consumer PET products in the environment.

https://doi.org/10.1007/s11224-025-02635-y Molecular electrostatic potential (MESP) analysis has emerged as a powerful and chemically intuitive framework for visualizing and interpreting electronic

https://doi.org/10.1039/D5NJ02780B This study presents a comprehensive computational investigation of pristine and BN-doped polycyclic aromatic hydrocarbons (BN_PAHs) as potential anode materials

https://doi.org/10.1007/s00339-025-08880-6 The removal of dyes from water, especially in wastewater treatment, is a critical environmental concern. This study demonstrates the

https://doi.org/10.1002/est2.70246 In this study, we report the effect of bromine treatment on electrochemically synthesized TiO2 nanotube (TNT) electrodes for supercapacitor applications.

https://doi.org/10.1016/j.est.2025.117649 Nanoarchitectured TiO2 is a benchmark material for electrochemical energy storage. Modifications like doping, metal decoration, and hybridization have helped in

https://doi.org/10.1039/D5CP01075F Hydroxy-substituted aromatic N-heterocycles, including hydroxy pyridine (py), dihydroxy naphthyridines (nt), and trihydroxy pyridonaphthyridines (pn), have been investigated for their

https://pubs.acs.org/doi/10.1021/acs.joc.5c00814 The Hammett substituent parameter (σₚ) is fundamental to physical organic chemistry but often suffers from inconsistencies in experimental determination

https://doi.org/10.1002/jcc.70122 Abstract This study uses density functional theory (DFT) calculations at the M06-2X/6–311 + G(d,p) level to explore the potential of main