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Journal of Computational Chemistry|July 26, 2021
Role of atomicity in the oxygen reduction reaction activity of platinum sub nanometer clusters: A global optimization studyAkhil S Nair, Anakuthil Anoop, Rajeev Ahuja, et al.
Nanoscale|October 11, 2024
Effect of graphene electrode functionalization on machine learning-aided single nucleotide classificationMohd Rashid, Milan Kumar Jena, Sneha Mittal, et al.
Angewandte Chemie (International Ed. in English)|October 8, 2023
Super-Oxidizing Covalent Triazine Framework Electrocatalyst for Two-Electron Water Oxidation to H<sub>2</sub> O<sub>2</sub>Ruqia Khan, Jeet Chakraborty, Kuber Singh Rawat, et al.
ACS Applied Materials & Interfaces|November 7, 2022
Linker Engineering of 2D Imine Covalent Organic Frameworks for the Heterogeneous Palladium-Catalyzed Suzuki Coupling ReactionChidharth Krishnaraj, Himanshu Sekhar Jena, Kuber Singh Rawat, et al.
The Journal of Physical Chemistry Letters|August 11, 2022
Rational Designing of Bimetallic/Trimetallic Hydrogen Evolution Reaction Catalysts Using Supervised Machine LearningNeeraj Kumar Pandit, Diptendu Roy, Shyama Charan Mandal, et al.
ACS Applied Materials & Interfaces|November 11, 2024
Machine-Learning-Assisted Screening of Nanocluster Electrocatalysts: Mapping and Reshaping the Activity Volcano for the Oxygen Reduction ReactionRahul Kumar Sharma, Milan Kumar Jena, Harpriya Minhas, et al.
ACS Physical Chemistry Au|March 1, 2023
Computational Screening of First-Row Transition-Metal Based Alloy Catalysts-Ligand Induced N<sub>2</sub> Reduction Reaction SelectivityArunendu Das, Shyama Charan Mandal, Akhil S Nair, et al.
Small (Weinheim an Der Bergstrasse, Germany)|May 8, 2024
Advancement of Next-Generation DNA Sequencing through Ionic Blockade and Transverse Tunneling Current MethodsRameshwar L Kumawat, Milan Kumar Jena, Sneha Mittal, et al.
Nanoscale|November 23, 2018
Ferromagnetism in magnesium chloride monolayer with an unusually large spin-up gapGargee Bhattacharyya, Indrani Choudhuri, Preeti Bhauriyal, et al.
ACS Applied Materials & Interfaces|July 15, 2022
Strategic Design of Mg-Centered Porphyrin Metal-Organic Framework for Efficient Visible Light-Promoted Fixation of CO<sub>2</sub> under Ambient Conditions: Combined Experimental and Theoretical InvestigationRajesh Das, Surya Sekhar Manna, Biswarup Pathak, et al.
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