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Publications

2023

  1. Tyagi, N. K.; Mahapatra, B. K.; Ghimire, S.; Manna, N.; Kumar, D.; Kumar, V.; Mukhopadhyay, K.; Singh, S. K. Theory-Directed Designing of an Intrinsic-Activity-Modulated Metal-Doped Copper Oxide Electrode for Nitrate to Ammonia Synthesis. ACS Appl. Energy Mater. 2023. https://doi.org/10.1021/acsaem.3c00617.

  2. Gadgoli, U.B.; Sunil Kumar, Y.C.; Kumar, D. An Insight into the Metabolism of 2,5-Disubstituted Monotetrazole Bearing Bisphenol Structures: Emerging Bisphenol A Structural Congeners. Molecules 2023, 28, 1465. https://doi.org/10.3390/molecules28031465.

2022

  1. U B Gadgoli, S K YC, Deepak Kumar, M Pai, S Pulya, B Ghosh, O P Kulkarni, O. P. "Estrogenic Activity of Tetrazole Derivatives Be
    aring Bisphenol Structures: Computational Studies, Synthesis, and In Vitro Assessment". J. Chem. Inf. Model. 2022. https://doi.org/10.1021/acs.jcim.1c01077.

  2. Deeksha R, Deepak Kumar* Tuning the properties of truxene by successive substitution of nitrogen and sulphur heteroatoms: a DFT insight. J Mol Model 28, 27 (2022). https://doi.org/10.1007/s00894-021-05020-8.

  3. Deeksha R, Deepak Kumar*. Design of Supported Catalysts for Nitrogen Reduction Reaction: A Continuous Challenge. Advanced Materials and Nano Systems: Theory and Experiment (part-1), Dibya Prakash Rai; Bentham Science Publishers (2022); pp 66-91. https://doi.org/10.2174/9789815050745122010007. (Book chapter)

2016-2021​​

  1. M Zafari, Deepak Kumar, M Umer, Kwang S Kim. "Machine learning-based high throughput screening for nitrogen fixation on boron-doped single atom catalysts". J. Mater. Chem. A, 2020,8, 5209-5216.

  2. Samir R Shaikh, Rupesh L Gawade, Deepak Kumar, Amol Kotmale, Rajesh G Gonnade, Tobias Stürzer "Crystal Engineering for Intramolecular π–π Stacking: Effect of Sequential Substitution of F on Molecular Geometry in Conformationally Flexible Sulfonamides". Cryst. Growth Des. 2019, 19, 10, 5665–5678.

  3. Deepak Kumar, Thillai Govindaraja, Sailaja Krishnamurty, Selvaraj Kaliaperumal, Sourav Pal "Dissociative chemisorption of hydrogen molecules on defective graphene-supported aluminium clusters: a computational study". Phys. Chem. Chem. Phys., 2018,20, 26506-26512.

  4. Deepak Kumar, Sailaja Krishnamurty, Sourav Pal. "Dissociative adsorption of molecular hydrogen on BN-doped graphene-supported aluminum clusters". J. Phys. Chem. C 2017, 121, 47, 26493–26498.

  5. Divya Nagaraju, Sharad Gupta, Deepak Kumar, Chamundi P Jijil, Suresh K Bhat, Dinesh Jagadeesan, Satishchandra Ogale. "Room-Temperature Activation of CO2 by Dual Defect-Stabilized Nanoscale Hematite (Fe2−δO3–v): Concurrent Role of Fe and O Vacancies".ACS Omega 2017, 2, 11, 8407–8413.

  6. Mahesh M Pisal, Ritesh A Annadate, Meghana C Athalye, Deepak Kumar, Subhash P Chavan, Dhiman Sarkar, Hanumant B Borate. "Synthesis and cell imaging applications of fluorescent mono/di/tri-heterocyclyl-2, 6-dicyanoanilines". Bioorganic & Medicinal Chemistry Letters, 27, 4, 2017, 979-988.

  7. Santosh K Singh, Deepak Kumar, Vishal M Dhavale, Sourav Pal, Sreekumar Kurungot. "Strategic Preparation of Efficient and Durable NiCo Alloy Supported N‐Doped Porous Graphene as an Oxygen Evolution Electrocatalyst: A Theoretical and Experimental Investigation". https://doi.org/10.1002/admi.201600532.

  8. Deepak Kumar, Sourav Pal, Sailaja Krishnamurty. "N2 activation on Al metal clusters: catalyzing role of BN-doped graphene support". Phys. Chem. Chem. Phys., 2016,18, 27721-27727.

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