59. M. Mahajan, U. Gangwar, B. Mondal*; The Role of a Redox-Active Ligand in Cu(II)-Nitrenoid Formation and its Aziridination Reactivity, ChemCatChem 2025, 17, e202401479 (Read)
58. B. S. Anju, N. R. Nair, J. Rajput, J. A. Bertke, B. Mondal*, S. Kundu*; Role of Ancillary Ligands in S-nitrosothiol and NO Generation from Nitrite-Thiol Interactions at Mononuclear Zinc(II) Sites, Chem. Sci. 2024 15, 18000. (Read)
57. B. Dutta, M. Mahajan, A. Ghosh, M. Dajek, R. Kowalczyk*, B. Mondal*, H. Ge*, D. Maiti*; Hydrogen Bonding Template Enables Remote Meta-C–H Alkenylation of Nitroarenes with Electron-Deficient Alkenes, Nat. Commun. 2024, 15, 7543. (Read)
56. A. Bhardwaj, B. Mondal*; Unraveling the Geometry-Driven C═C Epoxidation and C–H Hydroxylation Reactivity of Tetra-Coordinated Nonheme Iron(IV)–Oxo Complexes, Inorg. Chem. 2024, 63, 14468–14481 (Read)
55. J. Rajput, A. Ghosh, A. B. Pawar*, B. Mondal*; Deciphering the Origin of Regioselectivity in Ru(II)-Catalyzed C–H Annulation of N‑Chlorobenzamides with 1,3-Diynes, J. Org. Chem. 2024, 89, 6838–6846 (Read)
54. A. Joshi, A. Nigam, L. N. Mudgal, B. Mondal*, T. Basak*; ColPTMScape: An open access knowledge base for tissue-specific collagen PTM maps, Matrix Biology Plus 2024, 22, 100144. (Read)
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53. M. Mahajan, B. Mondal*; How Axial Coordination Regulates the Electronic Structure and C–H Amination Reactivity of Fe–Porphyrin–Nitrene?, JACS Au 2023, 3, 3494-3505 (Read)
52. A. Bhardwaj, B. Mondal*; μ2-η1:η1-N2 Bridged Bimetallic Dinitrogen Complexes: Geometry of the First Excited State in Connection to N2 π-Photoactivation, Chem. Eur. J. 2023, 29, e202301984. (Read)
51. S. Ghosh, A. 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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50. 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)
49. S. 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"
48. B. 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)
47. Y. 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, in Handbook of C–H Functionalization, 2023, Ed. Debabrata Maiti. (Read)
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46. 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)
45. 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)
44. D. Gambhir, B. Mondal*, R. R. Koner*, Molecular-level Insights into Self-Assembly Driven Enantioselective Recognition Process, Chem. Comm., 2021, 57, 2535 (Read)
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