Ansari, Azaj, Kaushik, Abhishek, Rajaraman, Gopalan (2013) 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-Hydroperoxo and High-Valent FeIV═O and FeV═O Intermediates. Journal Of The American Chemical Society, 135 (11) 4235-4249 doi:10.1021/ja307077f

See Also

These are possibly similar items as determined by title/reference text matching only.

	Kumar, Ravi, Pandey, Bhawana, Singh, Akta, Rajaraman, Gopalan (2021) Mechanistic Insights into the Oxygen Atom Transfer Reactions by Nonheme Manganese Complex: A Computational Case Study on the Comparative Oxidative Ability of Manganese-Hydroperoxo vs High-Valent MnIV═O and MnIV–OH Intermediates. Inorganic Chemistry, 60 (16) 12085-12099 doi:10.1021/acs.inorgchem.1c01306
	Kumar, Ravi, Ansari, Azaj, Comba, Peter, Rajaraman, Gopalan (2024) Rebound or Cage Escape? The Role of the Rebound Barrier for the Reactivity of Non‐Heme High‐Valent FeIV=O Species. Chemistry – A European Journal, 30 (6) doi:10.1002/chem.202303300
	Pandey, Bhawana, Jaccob, Madhavan, Rajaraman, Gopalan (2017) Mechanistic insights into intramolecular ortho-amination/hydroxylation by nonheme FeIVNTs/FeIVO species: the σ vs. the π channels. Chemical Communications, 53 (22). 3193-3196 doi:10.1039/c6cc08761b
	Yadav, Oval, Kumar, Manjeet, Mohapatra, Ranjan K., Gupta, Manoj Kumar, Ansari, Mursaleem, Ansari, Azaj (2024) Mechanistic insights on the epoxidation of alkenes by high-valent non-heme Fe(iv) and Fe(v) oxidants: a comparative theoretical study. New Journal of Chemistry, 48 (14) 6132-6141 doi:10.1039/d3nj05528k
	Ansari, Mursaleem, Rajaraman, Gopalan (2023) 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?. Dalton Transactions, 52 (2) 308-325 doi:10.1039/d2dt02559k
	Ansari, Mursaleem, Vyas, Nidhi, Ansari, Azaj, Rajaraman, Gopalan (2015) Oxidation of methane by an N-bridged high-valent diiron–oxo species: electronic structure implications on the reactivity. Dalton Transactions, 44 (34). 15232-15243 doi:10.1039/c5dt01060h
	Jaccob, Madhavan, Ansari, Azaj, Pandey, Bhawana, Rajaraman, Gopalan (2013) Theoretical studies on concerted versus two steps hydrogen atom transfer reaction by non-heme MnIV/IIIO complexes: how important is the oxo ligand basicity in the C–H activation step?. Dalton Transactions, 42 (47). 16518pp. doi:10.1039/c3dt52290c
	Jaccob, Madhavan, Rajaraman, Gopalan (2012) A computational examination on the structure, spin-state energetics and spectroscopic parameters of high-valent FeIVNTs species. Dalton Transactions, 41 (34). 10430pp. doi:10.1039/c2dt31071f
	Bassan, Arianna, Blomberg, Margareta R. A., Siegbahn, Per E. M., Que, Lawrence (2005) A Density Functional Study on a Biomimetic Non-Heme Iron Catalyst: Insights into Alkane Hydroxylation by a Formally HO?FeV?O Oxidant. Chemistry - A European Journal, 11 (2). 692-705 doi:10.1002/chem.200400383
	Phelan, Ryan M., Townsend, Craig A. (2013) Mechanistic Insights into the Bifunctional Non-Heme Iron Oxygenase Carbapenem Synthase by Active Site Saturation Mutagenesis. Journal Of The American Chemical Society, 135 (20) 7496-7502 doi:10.1021/ja311078s
	Bassan, Arianna, Blomberg, Margareta R. A., Siegbahn, Per E. M., Que, Lawrence (2002) A Density Functional Study of O−O Bond Cleavage for a Biomimetic Non-Heme Iron Complex Demonstrating an FeV-Intermediate. Journal Of The American Chemical Society, 124 (37) 11056-11063 doi:10.1021/ja026488g