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Mursaleem Ansari
Mursaleem Ansari
Postdoc Fellow at Institute of Computational Chemistry and Catalysis (IQCC)
在 udg.edu 的电子邮件经过验证 - 首页
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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
482015
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
362020
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
362019
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
312017
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
182019
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
172021
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
142020
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
102022
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
92023
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
92021
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
82021
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
82021
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
62022
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
62021
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
62021
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
42023
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
42023
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
32024
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
12024
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
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