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Manjeet Kumar
Manjeet Kumar
Postdoctoral Researcher, Department of Chemistry, Indian Institute of Technology Bombay
在 iitb.ac.in 的电子邮件经过验证 - 首页
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Anticancer properties, apoptosis and catecholase mimic activities of dinuclear cobalt (II) and copper (II) Schiff base complexes
MN Ahamad, K Iman, MK Raza, M Kumar, A Ansari, M Ahmad, M Shahid
Bioorganic chemistry 95, 103561, 2020
712020
Structural investigations, Hirsfeld surface analyses, and molecular docking studies of a phenoxo-bridged binuclear Zinc (II) complex
M Azam, PK Sahoo, RK Mohapatra, M Kumar, A Ansari, IS Moon, ...
Journal of Molecular Structure 1251, 132039, 2022
362022
Synthesis, characterization, theoretical studies and catecholase like activities of [MO 6] type complexes
MN Ahamad, M Kumar, A Ansari, I Mantasha, M Ahmad, M Shahid
New Journal of Chemistry 43 (35), 14074-14083, 2019
282019
Exploring solvent dependent catecholase activity in transition metal complexes: an experimental and theoretical approach
I Mantasha, M Shahid, M Kumar, A Ansari, MN Akhtar, MA AlDamen, ...
New Journal of Chemistry 44 (4), 1371-1388, 2020
252020
A combined experimental and theoretical approach to investigate the structure, magnetic properties and DNA binding affinity of a homodinuclear Cu (ii) complex
MN Ahamad, M Shahid, A Ansari, M Kumar, IM Khan, M Ahmad, R Arif
New Journal of Chemistry 43 (19), 7511-7519, 2019
222019
Comparison of the binding energies of approved mpox drugs and phytochemicals through molecular docking, molecular dynamics simulation, and ADMET studies: An in silico approach
RK Mohapatra, A Mahal, A Ansari, M Kumar, JP Guru, AK Sarangi, ...
Journal of Biosafety and Biosecurity 5 (3), 118-132, 2023
172023
Synthesis, structural investigations, XRD, DFT, anticancer and molecular docking study of a series of thiazole based Schiff base metal complexes
RK Al-Shemary, RK Mohapatra, M Kumar, AK Sarangi, M Azam, HS Tuli, ...
Journal of Molecular Structure 1275, 134676, 2023
142023
An efficient synthesis towards the core of Crinipellin: TD-DFT and docking studies
R Sahu, RK Mohapatra, SI Al-Resayes, D Das, PK Parhi, S Rahman, ...
Journal of Saudi Chemical Society 25 (2), 101193, 2021
142021
Electronic structures and ligand effect on redox potential of iron and cobalt complexes: a computational insight
M Kumar, MK Gupta, MA Rizvi, A Ansari
Structural Chemistry 34, 1565-1575, 2023
82023
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, 2023
82023
Theoretical Exploration on Structures, Bonding Aspects and Molecular Docking of α-Aminophosphonate Ligated Copper Complexes against SARS-CoV-2 Proteases
O Yadav, M Kumar, H Mittal, K Yadav, V Seidel, A Ansari
Frontiers in Pharmacology 13, 982484, 2022
72022
Sulfonamide as Photoinduced Hydrogen Atom Transfer Catalyst for Organophotoredox Hydrosilylation and Hydrogermylation of Activated Alkenes
K Ram Bajya, M Kumar, A Ansari, S Selvakumar
Advanced Synthesis & Catalysis 365 (7), 976-982, 2023
62023
Fabrication of Cd(II) metal-organic framework as a dual functional material: Efficient iodine capture and selective adsorption of cationic dye
F Vakil, MS Ahmad, M Kumar, A Ansari, M Shahid, M Ahmad
CrystEngComm 25, 2280-2297, 2023
52023
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
22024
Fabrication of Unique Mixed-Valent CoICoII and CuICuII Metal–Organic Frameworks (MOFs) for Desulfurization of Fuels: A Combined Experimental and …
HAM Saleh, S Khan, M Kumar, A Ansari, M Shahid, F Sama, KMA Qasem, ...
Inorganic Chemistry 63 (1), 329-345, 2023
22023
Photophysical properties of four-membered BN3 heterocyclic compounds: theoretical insights
M Kumar, AK Talakkal, RK Mohapatra, A Ansari
Journal of Molecular Modeling 29, 336, 2023
22023
Theoretical study of the formation of metal–oxo species of the first transition series with the ligand 14-TMC: driving factors of the “Oxo Wall”
M Kumar, A Sarkar, MK Gupta, A Ansari
Dalton Transactions 52 (39), 14160-14169, 2023
22023
Theoretical exploration of copper based electrolytes for third generation dye sensitized solar cells
SS Malhotra, M Kumar, MK Gupta, A Ansari
Materials Today Communications 39, 109208, 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
A computational approach toward the role of biomimetic complexes in hydroxylation reactions
O Yadav, M Kumar, RK Mohapatra, VS Kashid, A Ansari
Recent Advances in Organometallic Chemistry, 379-411, 2024
2024
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