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 |
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 |
Key role of higher order symmetry and electrostatic ligand field design in the magnetic relaxation of low-coordinate Er (III) complexes SK Singh, B Pandey, G Velmurugan, G Rajaraman Dalton Transactions 46 (35), 11913-11924, 2017 | 28 | 2017 |
Nucleophilic versus electrophilic reactivity of bioinspired superoxido nickel (II) complexes C Panda, A Chandra, T Corona, E Andris, B Pandey, S Garai, ... Angewandte Chemie International Edition 57 (45), 14883-14887, 2018 | 27 | 2018 |
Mechanistic insights into intramolecular ortho-amination/hydroxylation by nonheme Fe IV QNTs/Fe IV QO species: the r vs. the p channels1 B Pandey, M Jaccobab, G Rajaraman Chem. Commun 53, 3193-3196, 2017 | 27 | 2017 |
Donor–acceptor-stabilised germanium analogues of acid chloride, ester, and acyl pyrrole compounds: synthesis and reactivity MK Sharma, S Sinhababu, P Mahawar, G Mukherjee, B Pandey, ... Chemical Science 10 (16), 4402-4411, 2019 | 24 | 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 | 21 | 2015 |
A Highly Reactive Chromium (V)–Oxo TAML Cation Radical Complex in Electron Transfer and Oxygen Atom Transfer Reactions YH Hong, Y Jang, R Ezhov, MS Seo, YM Lee, B Pandey, S Hong, ... ACS Catalysis 11 (5), 2889-2901, 2021 | 14 | 2021 |
Deciphering the mechanism of oxygen atom transfer by non-heme Mn IV–oxo species: an ab initio and DFT exploration A Sen, N Vyas, B Pandey, G Rajaraman Dalton Transactions 49 (30), 10380-10393, 2020 | 12 | 2020 |
A Doubly Biomimetic Synthetic Transformation: Catalytic Decarbonylation and Halogenation at Room Temperature by Vanadium Pentoxide S Rana, B Pandey, A Dey, R Haque, G Rajaraman, D Maiti ChemCatChem 8 (21), 3367-3374, 2016 | 12 | 2016 |
COMPARATIVE OXIDATIVE ABILITY OF IRON(III)-IODOSYLARENE VS. HIGH-VALENT IRON(IV/V)-OXO SPECIES: IS LOWER OXIDATION STATE A KEY TO ENHANCE SELECTIVITY IN ORGANIC TRANSFORMATIONS? R Kumar, B Pandey, G Rajaraman Journal of Indian Chemical Society, 825-836, 2019 | 11 | 2019 |
Mechanistic Insights into the Oxygen Atom Transfer Reactions by Nonheme Manganese Complex: A Computational Case Study on the Comparative Oxidative Ability of Manganese … R Kumar, B Pandey, A Singh, G Rajaraman Inorganic Chemistry 60 (16), 12085-12099, 2021 | 8 | 2021 |
How does Lewis acid affect the reactivity of mononuclear high‐valent chromium–oxo species? A theoretical study Y Choi, B Pandey, XX Li, YM Lee, KB Cho, W Nam Bulletin of the Korean Chemical Society, https://doi.org/10.1002/bkcs.12397, 2021 | 6 | 2021 |
Mechanistic Insights on the Formation of High‐Valent MnIII/IV=O Species Using Oxygen as Oxidant: A Theoretical Perspective A Sen, N Vyas, B Pandey, M Jaccob, G Rajaraman Israel Journal of Chemistry 60 (10-11), 973-986, 2020 | 5 | 2020 |
Revisiting mechanistic studies on dinitrogen reduction to ammonia by an iron dinitrogen complex as nitrogenase mimic N Vyas, B Pandey, A Ojha, A Grover Int J Quantum Chem., DOI: 10.1002/qua.26025, 2019 | 4 | 2019 |
Identical Spin Multi-State Reactivity Towards CH Bond Activation in High-valent Fe/Mn-Oxo/Hydroxo Species G Rajaraman, A Sen, A SWAIN, B Pandey, A Ansari | 2 | 2022 |
Structure, Bonding, Reactivity and Spectral Features of PutativeNiIII=O Species: A Theoretical Perspective B Pandey, K Ray*, G Rajaraman* Zeitschrift für anorganische und allgemeine Chemie, 2018 | 2 | 2018 |
Identical Spin Multi-State Reactivity Towards CH Bond Activation in High-valent Fe/Mn-Oxo/Hydroxo Species A Sen, A Swain, B Pandey, A Ansari, G Rajaraman | | |