Research Papers By Author

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Khurshid Ayub
Associate Professor , Chemistry Department,
Abbottabad Campus
Density functional theory, molecular docking, In vitro and In vivo anti-inflammatory investigation of lapachol isolated from Fernandoa adenophylla

International ,Journal ,Cell Press ,2024
Khurshid Ayub
Associate Professor , Chemistry Department,
Abbottabad Campus
Transition metal loaded carbon penta-belt SACs for hydrogen and oxygen evolution reactions and identification of systematic DFT method to characterize the main interacting orbital for non-periodic system

International ,Journal ,ELSEVIER ,2024
Khurshid Ayub
Associate Professor , Chemistry Department,
Abbottabad Campus
A Rational Design of Alkali Metal-Doped Germanium Carbide Nanoclusters for High Nonlinear Optical Response and Ultraviolet Transparency

International ,Journal ,SPRINGER ,2023
Khurshid Ayub
Associate Professor , Chemistry Department,
Abbottabad Campus
Triquinoxalinylene and benzoquinone based covalent organic framework as robust material for mitigation of environmental pollutants-A theoretical approach

International ,Journal ,ELSEVIER ,2023
Khurshid Ayub
Associate Professor , Chemistry Department,
Abbottabad Campus
Nonlinear optical response of facially polarized all cis-1,3,5-trifluorocyclohexane doped with transition metals and calcium

International ,Journal ,ELSEVIER ,2023
Khurshid Ayub
Associate Professor , Chemistry Department,
Abbottabad Campus
Comparative analysis of interaction of ionic liquids with porous and non-porous electrode materials

International ,Journal ,ELSEVIER ,2023
Khurshid Ayub
Associate Professor , Chemistry Department,
Abbottabad Campus
Alkali metals doped cycloparaphenylene nanohoops: Promising nonlinear optical materials with enhanced performance

International ,Journal ,Cell Press ,2023
Khurshid Ayub
Associate Professor , Chemistry Department,
Abbottabad Campus
Sensing Performance of Heptazine-Based C3N4 Quantum Dot Toward Highly Toxic Environmental Pollutants, Amides, and Acetyl Derivatives

International ,Journal ,SPRINGER ,2024
Khurshid Ayub
Associate Professor , Chemistry Department,
Abbottabad Campus
The electronic properties, stability and catalytic activity of metallofullerene (M@C60) for robust hydrogen evolution reaction: DFT insights

International ,Journal ,ELSEVIER ,2024
Khurshid Ayub
Associate Professor , Chemistry Department,
Abbottabad Campus
Molecular docking, DFT studies, and anti-inflammatory evaluation of peshawaraquinone isolated from Fernandoa adenophylla

International ,Journal ,Taylor & Fransic Online ,2024
Khurshid Ayub
Associate Professor , Chemistry Department,
Abbottabad Campus
Theoretical Investigation of the CO oxidation mechanism over Mn-Corole as a single atom catalyst

International ,Journal ,ELSEVIER ,2024
Khurshid Ayub
Associate Professor , Chemistry Department,
Abbottabad Campus
Sensing Behavior of Pristine and TM-decorated Zn12O12 Nanocage Towards Toxic Formaldehyde, Phosgene and Thiophosgene Gases

International ,Journal ,SPRINGER ,2024
Khurshid Ayub
Associate Professor , Chemistry Department,
Abbottabad Campus
Face specific superalkali doped corannulene complexes with significant electronic and nonlinear optical responses

International ,Journal ,SPRINGER ,2024
Khurshid Ayub
Associate Professor , Chemistry Department,
Abbottabad Campus
Sensing ability of carbon nitride (C6N8) for the detection of carbon monoxide (CO) and carbon dioxide (CO2)

International ,Journal ,ELSEVIER ,2024
Khurshid Ayub
Associate Professor , Chemistry Department,
Abbottabad Campus
Density functional theory (DFT), molecular docking, and xanthine oxidase inhibitory studies of dinaphthodiospyrol S from Diospyros kaki L

International ,Journal ,ELSEVIER ,2024
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