| Mechanistic Insights on the ortho-Hydroxylation of Aromatic Compounds by Non-heme Iron Complex: A Computational Case Study on the Comparative Oxidative Ability of Ferric … A Ansari, A Kaushik, G Rajaraman Journal of the American Chemical Society 135 (11), 4235-4249, 2013 | 142 | 2013 |
| Anticancer properties, apoptosis and catecholase mimic activities of dinuclear cobalt(II) and copper(II) Schiff base complexes MS M Naqi Ahamad, Khushboo Iman, Md Kausar Raza, Manjeet Kumar, Azaj Ansari ... Bioorganic Chemistry 95, 103561, 2020 | 83 | 2020 |
| C H Bond Activation by Metal–Superoxo Species: What Drives High Reactivity? A Ansari, P Jayapal, G Rajaraman Angewandte Chemie 127 (2), 574-578, 2015 | 55 | 2015 |
| 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 | 52 | 2023 |
| 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 | 49 | 2015 |
| 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 | 39 | 2022 |
| ortho-Hydroxylation of aromatic acids by a non-heme Fe V [double bond, length as m-dash] O species: how important is the ligand design? A Ansari, G Rajaraman Physical Chemistry Chemical Physics 16 (28), 14601-14613, 2014 | 37 | 2014 |
| Theoretical studies on concerted versus two steps hydrogen atom transfer reaction by non-heme Mn IV/III [double bond, length as m-dash] O complexes: how important is the oxo … M Jaccob, A Ansari, B Pandey, G Rajaraman Dalton Transactions 42 (47), 16518-16526, 2013 | 36 | 2013 |
| Axial vs. Equatorial Ligand Rivalry in Controlling the Reactivity of Iron (IV)‐Oxo Species: Single‐State vs. Two‐State Reactivity R Kumar, A Ansari, G Rajaraman Chemistry–A European Journal 24 (26), 6818-6827, 2018 | 33 | 2018 |
| 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 | 32 | 2017 |
| 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 | 30 | 2019 |
| 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 | 26 | 2023 |
| 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 | 26 | 2020 |
| Computational studies on potential new anti-Covid-19 agents with a multi-target mode of action RK Mohapatra, M Azam, PK Mohapatra, AK Sarangi, M Abdalla, ... Journal of King Saud University-Science 34 (5), 102086, 2022 | 25 | 2022 |
| Exploring catecholase activity in dinuclear Mn (ii) and Cu (ii) complexes: an experimental and theoretical approach MS Ahmad, M Khalid, MS Khan, M Shahid, M Ahmad, A Monika, Ansari, ... New Journal of Chemistry 44 (19), 7998-8009, 2020 | 25 | 2020 |
| 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 | 25 | 2019 |
| Structures, bonding and reactivity of iron and manganese high-valent metal-oxo complexes: A computational investigation B Pandey, A Ansari, N Vyas, G Rajaraman Journal of Chemical Sciences 127, 343-352, 2015 | 22 | 2015 |
| Computational examination on the active site structure of a (peroxo) diiron (III) intermediate in the amine oxygenase AurF P Jayapal, A Ansari, G Rajaraman Inorganic Chemistry 54 (23), 11077-11082, 2015 | 21 | 2015 |
| Elucidating the contribution of solvent on the catecholase activity in a mononuclear Cu (II) system: An experimental and theoretical approach M Shahid, I Mantasha, S Khan, M Mehtab, O Yadav, A Ansari, ... Journal of Molecular Structure 1244, 130878, 2021 | 20 | 2021 |
| 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, 101193, 2020 | 18 | 2020 |
Ranjan Kumar MohapatraAsst. Professor of Chemistry, Government College of Engineering, KeonjharVerified email at gcekjr.ac.in