Oxidation of methane by an N-bridged high-valent diiron–oxo species: electronic structure implications on the reactivity M Ansari, N Vyas, A Ansari, G Rajaraman Dalton transactions 44 (34), 15232-15243, 2015 | 48 | 2015 |
Role of oxidation state, ferryl-oxygen, and ligand architecture on the reactivity of popular high-valent FeIV= O species: A theoretical perspective R Kumar, B Pandey, A Sen, M Ansari, S Sharma, G Rajaraman Coordination Chemistry Reviews 419, 213397, 2020 | 36 | 2020 |
Expanding the limits of catalysts with low-valent main-group elements for the hydroboration of aldehydes and ketones using [L† Sn (ii)][OTf](L†= aminotroponate; OTf= triflate) MK Sharma, M Ansari, P Mahawar, G Rajaraman, S Nagendran Dalton Transactions 48 (2), 664-672, 2019 | 36 | 2019 |
Interplay of Electronic Cooperativity and Exchange Coupling in Regulating the Reactivity of Diiron (IV)‐oxo Complexes towards C− H and O− H Bond Activation A Ansari, M Ansari, A Singha, G Rajaraman Chemistry–A European Journal 23 (42), 10110-10125, 2017 | 30 | 2017 |
Unprecedented copper (II) complex with a topoquinone-like moiety as a structural and functional mimic for copper amine oxidase: role of copper (II) in the genesis and amine … R Jangir, M Ansari, D Kaleeswaran, G Rajaraman, M Palaniandavar, ... ACS Catalysis 9 (12), 10940-10950, 2019 | 18 | 2019 |
Effect of the ligand backbone on the reactivity and mechanistic paradigm of non‐heme iron (IV)‐oxo during olefin epoxidation JP Biswas, M Ansari, A Paik, S Sasmal, S Paul, S Rana, G Rajaraman, ... Angewandte Chemie 133 (25), 14149-14158, 2021 | 17 | 2021 |
Deciphering the origin of million-fold reactivity observed for the open core diiron [HO–Fe III–O–Fe IV=O] 2+ species towards C–H bond activation: role of spin-states, spin … M Ansari, D Senthilnathan, G Rajaraman Chemical Science 11 (39), 10669-10687, 2020 | 14 | 2020 |
Mechanism of Hydroboration of CO2 Using an Fe Catalyst: What Controls the Reactivity and Product Selectivity? A Sen, M Ansari, G Rajaraman Inorganic Chemistry 62 (9), 3727-3737, 2023 | 9 | 2023 |
Electronic, geometrical and photophysical facets of five coordinated porphyrin N-heterocyclic carbene transition metals complexes: A theoretical study M Kumar, M Ansari, A Ansari Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 284, 121774, 2022 | 9 | 2022 |
Role of Coordination Geometry on the Magnetic Relaxation Dynamics of Isomeric Five-Coordinate Low-Spin Co (II) Complexes L Spillecke, S Tripathi, C Koo, A Bahr, A Swain, R Haldar, M Ansari, ... Inorganic Chemistry 61 (1), 317-327, 2021 | 9 | 2021 |
Electronic structures, bonding and energetics of non-heme mono and dinuclear iron-TPA complexes: a computational exploration O Yadav, M Ansari, A Ansari Structural Chemistry 32 (5), 2007-2018, 2021 | 8 | 2021 |
Ligand‐Constraint‐Induced Peroxide Activation for Electrophilic Reactivity A Chandra, M Ansari, I Monte‐Pérez, S Kundu, G Rajaraman, K Ray Angewandte Chemie International Edition 60 (27), 14954-14959, 2021 | 8 | 2021 |
A high-frequency EPR study of magnetic anisotropy and intermolecular interactions of Co (II) ions L Spillecke, S Tripathi, C Koo, M Ansari, S Vaidya, A Rasamsetty, ... Polyhedron 208, 115389, 2021 | 6 | 2021 |
Novel {Cu 4} and {Cu 4 Cd 6} clusters derived from flexible aminoalcohols: synthesis, characterization, crystal structures, and evaluation of anticancer properties K Iman, MK Raza, M Ansari, A Ansari, M Ahmad, MN Ahamad, ... Dalton Transactions 50 (34), 11941-11953, 2021 | 6 | 2021 |
Electronic structures, bonding aspects and spectroscopic parameters of homo/hetero valent bridged dinuclear transition metal complexes O Yadav, M Ansari, A Ansari Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 278, 121331, 2022 | 5 | 2022 |
Nitric Oxide Oxygenation Reactions of Cobalt-Peroxo and Cobalt-Nitrosyl Complexes Kulbir, A Keerthi C. S, S Beegam, S Das, P Bhardwaj, M Ansari, K Singh, ... Inorganic Chemistry 62 (19), 7385-7392, 2023 | 4 | 2023 |
Comparative oxidative ability of mononuclear and dinuclear high-valent iron–oxo species towards the activation of methane: does the axial/bridge atom modulate the reactivity? M Ansari, G Rajaraman Dalton Transactions 52 (2), 308-325, 2023 | 4 | 2023 |
C–H bond activation by high-valent iron/cobalt–oxo complexes: a quantum chemical modeling approach M Kumar, MK Gupta, M Ansari, A Ansari Physical Chemistry Chemical Physics 26 (5), 4349-4362, 2024 | 2 | 2024 |
Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II M Ansari, S Bhattacharjee, DA Pantazis Journal of the American Chemical Society 146 (14), 9640-9656, 2024 | | 2024 |
Mechanistic insights on the epoxidation of alkenes by high-valent non-heme Fe (iv) and Fe (v) oxidants: a comparative theoretical study O Yadav, M Kumar, RK Mohapatra, MK Gupta, M Ansari, A Ansari New Journal of Chemistry 48 (14), 6132-6141, 2024 | | 2024 |