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50. S. GhoshA. Bhardwaj, B. Mondal*; Revisiting the Electronic Structure of N2-Bound cAAC-Borylene at the CASSCF Level: A Detailed Bonding Picture of Borylene-N2 Interaction, Dalton. Trans. 2023, 52, 12517-12525. (Read)

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49. M. Mahajan, B. Mondal*; Origin of the Distinctive Electronic Structure of Co- and Fe-Porphyrin-Nitrene and Its Effect on Their Nitrene Transfer Reactivity, Inorg. Chem. 2023, 62, 5810–5821. (Read)


48S. Moni, B. Mondal*; Correlation between Key Steps and Hydricity in CO2 Hydrogenation Catalysed by Non-Noble Metal PNP-Pincer Complexes, Catalysts 2023, 13, 592. (Read)

Special Issue on "Computational Insights into Small Molecule Activation"


47B. Devi, A. Bhardwaj, D. Gambhir, B. Roy, A. Karmakar, G. Dey, A. Jain, B. Mondal*, R. R. Koner*; Cu(II)-Based Coordination Polymer as a Pristine Form Usable Electrocatalyst for Oxygen Reduction Reaction: Experimental Evaluation and Theoretical Insights into Biomimetic Mechanistic Aspects, Inorg. Chem. 2022, 61, 15699. (Read)


46Y. N. Aher, B. Mondal*, and A. B. Pawar*; Cp*Co(III)-Catalyzed C–H Functionalization Mediated by Oxidizing Directing Groups Toward the Synthesis of Heterocycles, iHandbook of C–H Functionalization, 2023, Ed. Debabrata Maiti. (Read)

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45. M. Bera, K. Keshari, A. Bhardwaj, G. Gupta, B. Mondal*, and S. Paria,* Electrocatalytic Water Oxidation Activity of Molecular Copper Complexes: Effect of Redox-Active Ligands, Inorg. Chem., 2022, 61, 3152. (Read)


44. N. Soni,   S. Singh, S. Sharma, G. Batra, K. Kaushik, C. Rao, N. C. Verma, B. Mondal*,  A. Yadav,* and  C. K. Nandi,* Absorption and Emission of Light in Red Emissive Carbon Nanodots, Chem. Sci., 2021, 12, 3615 (Read)  


43. D. Gambhir, B. Mondal*, R. R. Koner*, Molecular-level Insights into Self-Assembly Driven Enantioselective Recognition Process, Chem. Comm., 2021, 57, 2535 (Read) 


42. L. Roy‡, B. Mondal‡, S. Ye, Computational mechanistic insights into non-noble-metal-catalysed CO2 conversion, Dalton Trans. 2020, 49, 16608-16616. (Read)

‡Joint First Author


41. L. Roy, B. Mondal, F Neese, S Ye; "Theoretical Approach to Homogeneous Catalytic Reduction of CO2: Mechanistic Understanding to Build New Catalysts" in Carbon Dioxide Electrochemistry: Homogeneous and Heterogeneous Catalysis, 2020, Eds. Marc Robert, Cyrille Costentin, Kim Daasbjerg, Chapter 5 (Read)

Click here for publications (1-40) prior to joining IIT Mandi

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