Khurshid Ayub

64PUBLICATIONS
56CO-AUTHORS
Radiation and matterMain group metal chemistryElectrometallurgyComputational chemistryBiomolecular modelling and design
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Publications (64)

|Jul 06, 2026
Adsorption and sensing performance of graphenylene nanosheet toward chlorofluorocarbons; a theoretical study.

|Jul 03, 2026
External electric field-induced remarkable enhancement of the hyperpolarizability in aza-12-crown-4-based alkaline earthide complexes.

|Jun 08, 2026
Transition metal-induced excess electron localization driving the giant first hyperpolarizability in alkaline earthides: a DFT and TD-DFT study.

|May 19, 2026
Carbon halogen bond dissociation energy predictions through automated machine learning pipeline.

|Mar 30, 2026
Investigating the Therapeutic Activity of C4N as a Targeted Drug Delivery System for Acetaminophen and Thioguanine through DFT Simulations.

Memona Nazeer, Muhammad Yar, Khurshid Ayub

|Jan 05, 2026
Comparative DFT analysis of CO2 cycloaddition with ionic liquids in encapsulated and free states.

Annum Ahsan, Ahmed Lakhani, Khurshid Ayub

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Frequent Collaborators

13 joint publications

Tariq Mahmood

9 joint publications

Shabbir Muhammad

8 joint publications

Nadeem S Sheikh

7 joint publications

Imene Bayach