| 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 | 136 | 2013 |
| 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 |
| 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 |
| 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 | 34 | 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 | 31 | 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 | 29 | 2017 |
| 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 | 21 | 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 | 19 | 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 | 18 | 2015 |
| Mechanistic insights into the allylic oxidation of aliphatic compounds by tetraamido iron(V) species: A C–H vs. O–H bond activation AA Monika New Journal of Chemistry 44, 19103-19112, 2020 | 8 | 2020 |
| Dataset for Modelling Reaction Mechanisms Using Density Functional Theory: Mechanism of ortho-Hydroxylation by High-Valent Iron-Oxo Species A Ansari, G Rajaraman Dataset Papers in Science 2014, 2014 | 5 | 2014 |
Rajaraman GopalanIIT Bombay, Powai, Mumbai-400076Verified email at chem.iitb.ac.in
