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Khurshid Ayub
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Comparative analysis of interaction of ionic liquids with porous and non-porous electrode materials
Probing the catalytic activity of first-row transition metal doped C<inf>20</inf> fullerene as remarkable HER electrocatalysts: A DFT study
Enhanced nonlinear optical response of alkalides based on stacked Janus all-cis-1,2,3,4,5,6-hexafluorocyclohexane
Role of Delocalization, Asymmetric Distribution of π-Electrons and Elongated Conjugation System for Enhancement of NLO Response of Open Form of Spiropyran-Based Thermochromes
Giant NLO response and deep ultraviolet transparency of dual (alkali/alkaline earth) metals doped C<inf>6</inf>O<inf>6</inf>Li<inf>6</inf> electrides
A three orders of magnitude increase in nonlinear optical response by external electric field on Cryptand[2.2.2] (C222) based alkaline earthides
Chiral Recognition of Amino Acids Using CC2 Porous Organic Cages
Nonlinear Optical Properties and Phototunable Absorption of a Substituted Dihydroazulene-Vinylheptafulvene Pair of Photochromes
Rational Design, Stabilities and Nonlinear Optical Properties of Non-Conventional Transition Metalides; New Entry into Nonlinear Optical Materials
Transition Metal Sensing with Nitrogenated Holey Graphene: A First-Principles Investigation
Hydrogen Dissociation Reaction on First-Row Transition Metal Doped Nanobelts
Transition Metal-Doped C<inf>20</inf> Fullerene-Based Single-Atom Catalysts with High Catalytic Activity for Hydrogen Dissociation Reaction
Decorating Mg<inf>12</inf>O<inf>12</inf> Nanocage with Late First-Row Transition Metals To Act as Single-Atom Catalysts for the Hydrogen Evolution Reaction
Efficient Detection of Nerve Agents through Carbon Nitride Quantum Dots: A DFT Approach
Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study
Remarkable Single Atom Catalyst of Transition Metal (Fe, Co & Ni) Doped on C<inf>2</inf>N Surface for Hydrogen Dissociation Reaction
Covalent Organic Framework (C<inf>6</inf>N<inf>6</inf>) as a Drug Delivery Platform for Fluorouracil to Treat Cancerous Cells: A DFT Study
Phototunable Absorption and Nonlinear Optical Properties of Thermally Stable Dihydroazulene-Vinylheptafulvene Photochrome Pair
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