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Publications (15)
- Synergetic storage of ammonia over Al quantum dots embedded graphene sheets: A first principles perspective (vol 47, pg 36873, 2022) Save
- Indazole-5-amine (AIA) as competing corrosion coating to Benzotriazole (BTAH) at the interface of Cu: A DFT and BOMD case study Save
- Metal-Organic Frameworks for Enhanced Hydrogen Generation from Syngas: A Density Functional Theory Approach Save
- Active Site Engineering and Theoretical Aspects of "Superhydrophilic" Nanostructure Array Enabling Efficient Overall Water Electrolysis Save
- Chemically modified graphene sheets as potential sensors for organophosphate compounds(pesticide): A DFT study Save
- Expounding lemonal terpenoids as corrosion inhibitors for copper using DFT based calculations Save
- Investigation of the Effect of Zeolite Supports and the Role of W-Species for One-Pot Catalytic Conversion of Cellulose to Ethylene Glycol: Theoretical & Experimental Studies Save
- Shape-Controlled MoO3/MnO x Nanocatalyst for the Selective Synthesis of 2-Phenylquinoxaline Drug Motifs Save
- Understanding the thermal stability of a 3d, 4d, and 5d element doped aluminium nanocluster through BOMD simulations Save
- Facile fabrication of nano silver phosphate on B-doped g-C3N4: An excellent p-n heterojunction photocatalyst towards water oxidation and Cr (VI) reduction Save