| 2024 | Cascade approach to synthesize BIMs and analogues in different nucleophilic conditions | Akhilesh Kumar | Article |
| 2026 | Chemoselective Reduction of Conjugated Indole-maleimides and Oxindole-esters via Zn/TiCl4-Assisted Unified Approach | Akhilesh Kumar | Article |
| 2024 | cis-Dihydroxylation by Synthetic Iron(III)-Peroxo Intermediates and Rieske Dioxygenases: Experimental and Theoretical Approaches Reveal the Key O-O Bond Activation Step | 남원우; Akhilesh Kumar | Article |
| 2023 | Copper(II)-Mediated Transformation of a Hexadentate Non-Innocent Ligand into a Pentadentate Non-Innocent Ligand | Akhilesh Kumar | Article |
| 2025 | Debate of Nucleophilic versus Electrophilic Oxidative Aldehyde Deformylation by Mononuclear Nonheme Iron(III)-Peroxo and Iron(IV)-Oxo Complexes | 남원우; Akhilesh Kumar | Article |
| 2023 | Design, Synthesis, and Applications of a Vanadium Complex: An Effective Catalyst for the Direct Conversion of Alcohols and Aldehydes to Esters | Akhilesh Kumar | Article |
| 2026 | Design, Synthesis, and In Vitro and In Silico Anticancer Profiling of Spirooxindole–Tetrahydrocarbazoles | Akhilesh Kumar | Article |
| 2024 | Electronic Structure and Reactivity of Mononuclear Nonheme Iron-Peroxo Complexes as a Biomimetic Model of Rieske Oxygenases: Ring Size Effects of Macrocyclic Ligands | 남원우; 이용민; 서미숙; Akhilesh Kumar | Article |
| 2023 | Experimental and theoretical magnetostructural studies on discrete heterometallic cyanide-bridged dinuclear FeIIIMnII and tetranuclear FeIII2CuII2 complexes bearing tripodal pyrazolyl borate and tetradentate phenolate-based ligands | Akhilesh Kumar | Article |
| 2026 | High oxidizing reactivity of mononuclear nonheme Iron(V)-oxo complexes | 남원우; Shunichi Fukuzumi; 이용민; Akhilesh Kumar | Article |
| 2026 | Ligand-Induced Self-Assembly of Clusters by Pyridine–Amine–Carboxylate Frameworks of 3D Transition Metals: Structural and Magnetic Aspects | Akhilesh Kumar | Review |
| 2023 | Magnetic properties and pH-controlled reversible interconversion of µ-oxido into µ-hydroxido in oxo-carboxylato bridged iron(III) dimers: Theoretical and experimental insights | Akhilesh Kumar | Article |
| 2024 | Metal-Coordinated Ligand Radical Species With Non-innocent Ortho-aminophenol Functionalities: Reactivity and Catalysis | Akhilesh Kumar | Review |
| 2023 | Molecular docking and dynamic simulations of 2-phenoxyaniline and quantum computational, spectroscopic, DFT/TDDFT investigation of electronic states in various solvents | Akhilesh Kumar | Article |
| 2026 | Mononuclear Non-Heme Iron(III)-Peroxo Complexes in Oxidative N-Demethylation Reaction as a Chemical Model Study of Rieske Oxygenases | 남원우; Shunichi Fukuzumi; 이용민; Akhilesh Kumar | Article |
| 2023 | [RhCp*Cl2]2-Catalyzed Indole Functionalization: Synthesis of Bioinspired Indole-Fused Polycycles | Akhilesh Kumar | Review |
| 2023 | Seeing the cis-Dihydroxylating Intermediate: A Mononuclear Nonheme Iron-Peroxo Complex in cis-Dihydroxylation Reactions Modeling Rieske Dioxygenases | 남원우; 이용민; 서미숙; Li Xiao Xi; Akhilesh Kumar | Article |
| 2024 | Selective Functionalization of Indole: Synthesis of Bioinspired 2,2′-thiobisindoles, 3-substituted Oxindoles, and 1-(chloromethyl) Indoline-2-dione in One-pot manner | Akhilesh Kumar | Article |
| 2024 | Synthesis of indol-3-yl-benzofurans and carbazoles via Cu(OTf)2-catalyzed [3 + 2] and [4 + 2] cycloaddition | Akhilesh Kumar | Article |
| 2026 | Synthesis, Crystal Structure Analysis, Quantum Computation, Molecular Docking, and Molecular Dynamics Simulation Studies on 2-(2-phenylazo)-anilino-4,6-di-tert-butyl-phenol | Akhilesh Kumar | Article |
| 2025 | Synthesis, crystal structure, quantum computational, biological study, molecular docking and molecular dynamic simulations investigations on 2,2′-((1,4-phenylenebis(methylene)) bis(sulfanediyl))dianiline | Akhilesh Kumar | Article |
| 2023 | The rapid construction and biological evaluation of densely substituted pyrrolo[1,2-a]indoles via a BF3·OEt2-assisted cascade approach | Akhilesh Kumar | Article |
| 2024 | Vanadium (IV)oxo catalyzed One-Pot transformation of cinnamate to aromatic ester and its mechanistic aspects | Akhilesh Kumar | Article |
