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Journal of Biomolecular Structure & Dynamics|May 24, 2021
Permeation selectivity of pristine and vacancy defected hexagonal boron membranes for alkaline earth metal and ionsSajida Munsif, Khurshid AyubJournal of Molecular Graphics & Modelling|September 18, 2021
Extremely large static and dynamic nonlinear optical response of small superalkali clusters NM3M' (M, M'=Li, Na, K)Atazaz Ahsin, Khurshid AyubBiomaterials Science|November 22, 2024
Chiral recognition of amino acids through homochiral metallacycle [ZnCl2L]2Maria Maqbool, Khurshid AyubJournal of Molecular Graphics & Modelling|May 13, 2021
Oxacarbon superalkali C3X3Y3 (X = O, S and Y = Li, Na, K) clusters as excess electron compounds for remarkable static and dynamic NLO responseAtazaz Ahsin, Khurshid AyubPhysical Chemistry Chemical Physics : PCCP|January 20, 2023
Transition metalides based on facially polarized all-cis-1,2,3,4,5,6-hexafluorocyclohexane - a new class of high performance second order nonlinear optical materialsFaiza Ahsan, Khurshid AyubRSC Advances|December 13, 2024
Controlled tuning of HOMO and LUMO levels in supramolecular nano-Saturn complexesMaria Maqbool, Khurshid AyubThe Journal of Organic Chemistry|December 25, 2013
Syntheses of dihydropyrene-cyclophanediene negative photochromes containing internal alkenyl and alkynyl groups and comparison of their photochemical and thermochemical propertiesKhurshid Ayub, Reginald H MitchellJournal of Molecular Graphics & Modelling|December 28, 2020
Silver cluster (Ag6) decorated coronene as non-enzymatic sensor for glucose and H2O2Tabish Jadoon, Tariq Mahmood, Khurshid AyubJournal of Molecular Graphics & Modelling|November 19, 2020
Surface functionalization of twisted graphene C32H15 and C104H52 derivatives with alkalis and superalkalis for NLO response; a DFT studyNaveen Kosar, Khurshid Ayub, Tariq MahmoodRSC Advances|December 15, 2025
Unveiling the mechanism of the electroreduction of CO2 to CO over ZIF-8, ZIF-67, and ZIF-90: a DFT perspectiveImtiaz Hussain, Umar Farooq, Khurshid AyubPageof 20