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Khurshid Ayub

COMSATS University Islamabad

SCHOLARLY PAPERS

5

DOWNLOADS

207

TOTAL CITATIONS

0

Scholarly Papers (5)

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1.

Tuning the Optoelectronic Properties of Superalkali (Li3o) Doped Phosphorene: A Dft Study

Number of pages: 19 Posted: 09 Sep 2020
Ayesha Hanif, Rasheed Ahmad Khera, Khurshid Ayub and Javed Iqbal
University of Agriculture, Faisalabad, University of Agriculture Faisalabad, COMSATS University Islamabad and affiliation not provided to SSRN
Downloads 73 (852,604)

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Phosphorene (BP), Superalkali, hyperpolarizability, DFT

2.

Theoretical Studies on Sensing of Transition Metals Using C2n Surface

Number of pages: 30 Posted: 12 Aug 2022
Uroosa Sohail, Faizan Ullah, Tariq Mahmood and Khurshid Ayub
COMSATS University Islamabad, COMSATS University Islamabad, COMSATS University Islamabad and COMSATS University Islamabad
Downloads 50 (1,063,489)

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carbon nitride, Toxicity, sensors, Density functional theory, SAPT0, Electronic properties

3.

Robust and Facile Detection of Formaldehyde Through Transition Metals Doped Olympicene Sensors: A Step Forward Dft Investigation

Number of pages: 22 Posted: 28 Jun 2023
Muhammad Aetizaz, Faizan Ullah, Sehrish Sarfaraz, Tariq Mahmood and Khurshid Ayub
COMSATS University Islamabad, COMSATS University Islamabad, COMSATS University Islamabad, COMSATS University Islamabad and COMSATS University Islamabad
Downloads 31 (1,304,549)

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electrochemical sensor, olympicene surface, non-covalent interactions, formaldehyde, adsorption energy

4.

Combined experimental and computational approach toward biological, physicochemical and quantum chemical aspects of substituted 1-[5-Phenyl-3-(2-trifluoromethyl-phenyl)-4,5-dihydro-pyrazol-1-yl]-ethanone

Number of pages: 30 Posted: 15 Oct 2022
Faiz Rasool, Ajaz Hussain, Tania Shamim Rizvi, Muhammad Yar, Khurshid Ayub, Muhammad Khalid, Ahmad Al-Harrasi, Mehreen Lateef and Sana Iqbal
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, COMSATS University Islamabad, Khwaja Fareed University of Engineering & Information Technology, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 28 (1,345,526)

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Pyrazoline, Experimental and computational biological study, DFT

5.

C18 and B9N9 monocycles as scaffolds for selective adsorption of C2 molecules; DFT identification

Number of pages: 16 Posted: 13 Feb 2026
Hasnain Sajid, Warda Mehak, Fajar Akhtar, Muhammad Sohaib, Khurshid Ayub and Arsalan Ahmed
Carleton University, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, COMSATS University Islamabad and affiliation not provided to SSRN
Downloads 25 (1,385,945)

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C2 selective adsorption, Density functional theory, monocyclic rings