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Publications (35)
- A computational study on the atmospheric oxidation of CF3OCHFCF3 (HFE-227) initiated by ˙OH radicals: mechanism, kinetics, degradation of product radicals and ecotoxicity Save
- Single-atom Pd in ZSM-5 for selective oxidation of methane to methanol: a DFT-based ONIOM approach Save
- Adsorption and Co‐Adsorption of CO and H2O on Ce2O4 and CeMO4 (M = Ti and Sn) Nanoclusters: A DFT‐Based Perspective Save
- Manganese(III) Complexes of Porphyrin-based Ligand: Synthesis, DFT Study and Catalytic Application Save
- Chlorine-Atom-Initiated Reaction Mechanisms, Kinetics, and Global Warming Potentials of CF3(CF2)2CH═CH2 (HFO-1447fz) and Interpreting the Fate of Its Product Radicals Save
- Modelling H 2 S induced catalyst contamination in polymer electrolyte fuel cells: performance degradation and regeneration with ozone Save
- Palladium (II) Catalyzed Synthesis of Meta‐Substituted Biphenyls via Carboxylate Directed Ortho‐Arylation Decarboxylation Cascade: Experimental and Theoretical Insights Save
- A NiO/MnO2 nanostructure for efficient reduction of 4-nitrophenol and chromium(vi) Save
- Controlled synthesis of FeNi colloidal nanoparticles over NiO/Fe2O3 matrix for the catalytic reduction of 4-nitrophenol Save
- Theoretical Exploration of the Mechanisms for Methane-to-Methanol Conversion Using Bare and ZSM-5-Supported Pd4 Clusters Save