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Chemical Science|July 12, 2024
The interplay of covalency, cooperativity, and coupling strength in governing C-H bond activation in Ni<sub>2</sub>E<sub>2</sub> (E = O, S, Se, Te) complexesSunita Sharma, Bhawana Pandey, Gopalan RajaramanChemistry (Weinheim an Der Bergstrasse, Germany)|May 21, 2024
Unravelling the Mechanism of CO<sub>2</sub> Activation: Insights Into Metal-Metal Cooperativity and Spin-Orbit Coupling with {3d-4f} CatalystsPurva Dua, Asmita Sen, Gopalan RajaramanDalton Transactions (Cambridge, England : 2003)|May 31, 2019
How important is the coordinating atom in controlling magnetic anisotropy in uranium(iii) single-ion magnets? A theoretical perspectiveSourav Dey, Gunasekaran Velmurugan, Gopalan RajaramanDalton Transactions (Cambridge, England : 2003)|October 14, 2021
Are lanthanide-transition metal direct bonds a route to achieving new generation {3d-4f} SMMs?Abinash Swain, Asmita Sen, Gopalan RajaramanChemical Science|November 19, 2020
Deciphering the origin of million-fold reactivity observed for the open core diiron [HO-Fe<sup>III</sup>-O-Fe<sup>IV</sup>[double bond, length as m-dash]O]<sup>2+</sup> species towards C-H bond activation: role of spin-states, spin-coupling, and spin-cooperationMursaleem Ansari, Dhurairajan Senthilnathan, Gopalan RajaramanInorganic Chemistry|November 21, 2015
Computational Examination on the Active Site Structure of a (Peroxo)diiron(III) Intermediate in the Amine Oxygenase AurFPrabha Jayapal, Azaj Ansari, Gopalan RajaramanInorganic Chemistry|February 21, 2023
Mechanism of Hydroboration of CO<sub>2</sub> Using an Fe Catalyst: What Controls the Reactivity and Product Selectivity?Asmita Sen, Mursaleem Ansari, Gopalan RajaramanChemistry, an Asian Journal|September 27, 2019
Role of Ab Initio Calculations in the Design and Development of Organometallic Lanthanide-Based Single-Molecule MagnetsAbinash Swain, Arup Sarkar, Gopalan RajaramanChemical Communications (Cambridge, England)|February 22, 2017
Mechanistic insights into intramolecular ortho-amination/hydroxylation by nonheme Fe<sup>IV</sup>[double bond, length as m-dash]NTs/Fe<sup>IV</sup>[double bond, length as m-dash]O species: the σ vs. the π channelsBhawana Pandey, Madhavan Jaccob, Gopalan RajaramanJournal of the American Chemical Society|February 5, 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 Fe(IV)═O and Fe(V)═O intermediatesAzaj Ansari, Abhishek Kaushik, Gopalan RajaramanPageof 28