| Machine learning-based high throughput screening for nitrogen fixation on boron-doped single atom catalysts M Zafari, D Kumar, M Umer, KS Kim Journal of Materials Chemistry A 8 (10), 5209-5216, 2020 | 144 | 2020 |
| Strategic Preparation of Efficient and Durable NiCo Alloy Supported N‐Doped Porous Graphene as an Oxygen Evolution Electrocatalyst: A Theoretical and Experimental Investigation SK Singh, D Kumar, VM Dhavale, S Pal, S Kurungot Advanced Materials Interfaces 3 (20), 1600532, 2016 | 56 | 2016 |
| N 2 activation on Al metal clusters: catalyzing role of BN-doped graphene support D Kumar, S Pal, S Krishnamurty Physical Chemistry Chemical Physics 18 (40), 27721-27727, 2016 | 42 | 2016 |
| Synthesis and cell imaging applications of fluorescent mono/di/tri-heterocyclyl-2, 6-dicyanoanilines MM Pisal, RA Annadate, MC Athalye, D Kumar, SP Chavan, D Sarkar, ... Bioorganic & medicinal chemistry letters 27 (4), 979-988, 2017 | 10 | 2017 |
| Dissociative chemisorption of hydrogen molecules on defective graphene-supported aluminium clusters: a computational study D Kumar, T Govindaraja, S Krishnamurty, S Kaliaperumal, S Pal Physical Chemistry Chemical Physics 20 (41), 26506-26512, 2018 | 9 | 2018 |
| Dissociative adsorption of molecular hydrogen on BN-doped graphene-supported aluminum clusters D Kumar, S Krishnamurty, S Pal The Journal of Physical Chemistry C 121 (47), 26493-26498, 2017 | 9 | 2017 |
| Room-Temperature Activation of CO2 by Dual Defect-Stabilized Nanoscale Hematite (Fe2−δO3–v): Concurrent Role of Fe and O Vacancies D Nagaraju, S Gupta, D Kumar, CP Jijil, SK Bhat, D Jagadeesan, S Ogale ACS omega 2 (11), 8407-8413, 2017 | 8 | 2017 |
| Crystal Engineering for Intramolecular π–π Stacking: Effect of Sequential Substitution of F on Molecular Geometry in Conformationally Flexible Sulfonamides SR Shaikh, RL Gawade, D Kumar, A Kotmale, RG Gonnade, T Stürzer Crystal Growth & Design 19 (10), 5665-5678, 2019 | 6 | 2019 |
| Theory-Directed Designing of an Intrinsic-Activity-Modulated Metal-Doped Copper Oxide Electrode for Nitrate to Ammonia Synthesis NK Tyagi, BK Mahapatra, S Ghimire, N Manna, D Kumar, V Kumar, ... ACS Applied Energy Materials, 2023 | 3 | 2023 |
| Tuning the properties of truxene by successive substitution of nitrogen and sulphur heteroatoms: a DFT insight D Kumar Journal of Molecular Modeling 28 (1), 27, 2022 | 3 | 2022 |
| Estrogenic Activity of Tetrazole Derivatives Bearing Bisphenol Structures: Computational Studies, Synthesis, and In Vitro Assessment UB Gadgoli, SK YC, D Kumar, MM Pai, S Pulya, B Ghosh, OP Kulkarni Journal of Chemical Information and Modeling 62 (4), 854-873, 2022 | 1 | 2022 |
| Effect of B-N substitution on structure, reactivity and spectroscopic properties of polyarylenevinylene systems: A computational insight K Adhaduk, S Yadav, D Kumar International Journal of Quantum Chemistry 124 (1), e27304, 2024 | | 2024 |
| An Insight into the Metabolism of 2, 5-Disubstituted Monotetrazole Bearing Bisphenol Structures: Emerging Bisphenol A Structural Congeners UB Gadgoli, YC Sunil Kumar, D Kumar Molecules 28 (3), 1465, 2023 | | 2023 |
| Effect of Ligand Attachment at Ag11 for CO Oxidation: A Computational Investigation R Deeksha, T Sengupta, D Kumar, SN Khanna The journal of physical chemistry. A, 2023 | | 2023 |
| Design of Supported Catalysts for Nitrogen Reduction Reaction: A Continuous Challenge D R, D Kumar Advanced Materials and Nano Systems: Theory and Experiment 26, 66-91, 2022 | | 2022 |
Sailaja KrishnamurtyNational Chemical Laboratory (CSIR-NCL)Verified email at ncl.res.in
