1. A comprehensive DFT study on the sensing abilities of cyclic oligothiophenes (nCTs). (21st August 2019) Authors: Sajid, Hasnain; Ayub, Khurshid; Mahmood, Tariq Journal: New journal of chemistry Issue: Volume 43:Number 35(2019) Page Start: 14120 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A first principles study on electrochemical sensing of highly toxic pesticides by using porous C4N nanoflake. (January 2022) Authors: Asif, Misbah; Sajid, Hasnain; Ayub, Khurshid; Ans, Muhammad; Mahmood, Tariq Journal: Journal of physics and chemistry of solids Issue: Volume 160(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Acridinedione as selective flouride ion chemosensor: a detailed spectroscopic and quantum mechanical investigation. Issue 4 (9th January 2018) Authors: Iqbal, Nafees; Ali, Syed Abid; Munir, Iqra; Khan, Saima; Ayub, Khurshid; al-Rashida, Mariya; Islam, Muhammad; Shafiq, Zahid; Ludwig, Ralf; Hameed, Abdul Journal: RSC advances Issue: Volume 8:Issue 4(2018) Page Start: 1993 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Adamanzane based alkaline earthides with excellent nonlinear optical response and ultraviolet transparency. (September 2020) Authors: Ahsan, Annum; Ayub, Khurshid Journal: Optics & laser technology Issue: Volume 129(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Adsorption of pyrrole on Al12N12, Al12P12, B12N12, and B12P12 fullerene-like nano-cages; a first principles study. (September 2016) Authors: Shokuhi Rad, Ali; Ayub, Khurshid Journal: Vacuum Issue: Volume 131(2016) Page Start: 135 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. An accurate cost effective DFT approach to study the sensing behaviour of polypyrrole towards nitrate ions in gas and aqueous phases. Issue 28 (4th July 2016) Authors: Wasim, Fatima; Mahmood, Tariq; Ayub, Khurshid Journal: Physical chemistry chemical physics Issue: Volume 18:Issue 28(2016) Page Start: 19236 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Anchoring the late first row transition metals with B12P12 nanocage to act as single atom catalysts toward oxygen evolution reaction (OER). (January 2023) Authors: Allangawi, Abdulrahman; Mahmood, Tariq; Ayub, Khurshid; Gilani, Mazhar Amjad Journal: Materials science in semiconductor processing Issue: Volume 153(2023) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Anticancer evaluation of a manganese complex on HeLa and MCF-7 cancer cells: design, deterministic solvothermal synthesis approach, Hirshfeld analysis, DNA binding, intracellular reactive oxygen species production, electrochemical characterization and density functional theory. Issue 3 (11th February 2021) Authors: Abbas, Saghir; Rashid, Faisal; Ulker, Emine; Zaib, Sumera; Ayub, Khurshid; Ullah, Sana; Nadeem, Muhammad Arif; Yousuf, Sammer; Ludwig, Ralf; Ali, Saqib; Iqbal, Jamshed Journal: Journal of biomolecular structure & dynamics Issue: Volume 39:Issue 3(2021) Page Start: 1068 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Are phosphide nano-cages better than nitride nano-cages? A kinetic, thermodynamic and non-linear optical properties study of alkali metal encapsulated X12Y12 nano-cages. Issue 46 (10th November 2016) Authors: Ayub, Khurshid Journal: Journal of materials chemistry Issue: Volume 4:Issue 46(2016) Page Start: 10919 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Aromaticities of azines relative to benzene; a theoretical approach through the dimethyldihydropyrene probe. (17th September 2014) Authors: Maria; Nisa, Riffat U.; Hanif, Muhammad; Mahmood, Adeem; Ayub, Khurshid Journal: Journal of physical organic chemistry Issue: Volume 27:Number 11(2014:Nov.) Page Start: 860 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗