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Publications (9)
- Exploring the conformation-dependent reactivity and dynamics of a dinucleotide inhibitor of ribonuclease A Save
- Machine Learning-Enhanced Screening of Single-Atom Alloy Clusters for Nitrogen Reduction Reaction Save
- Importance of Adatom on Pure Iron Catalyst Towards Electrocatalytic N2 Reduction Reaction Save
- Control over product formation and thermodynamic stability of thiolate-protected gold nanoclusters through tuning of surface protecting ligands Save
- The electrocatalytic N2 reduction activity of core–shell iron nanoalloy catalysts: a density functional theory (DFT) study Save
- Density Functional Theory Studies of Earth-Abundant Late Transition Metal-Substituted Surface + Subsurface Iron Alloys for Selective Electrocatalytic N2 Reduction Save
- Computational Screening of First-Row Transition-Metal Based Alloy Catalysts─Ligand Induced N2 Reduction Reaction Selectivity Save
- Current Density Calculations of an Octahedral Fe Nanocluster for Selective Electrocatalytic for Nitrogen Reduction Save
- Organic cation (DMPI) intercalated graphite anode for high voltage next generation dual-ion batteries Save