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Physical Chemistry Chemical Physics : PCCP|April 9, 2014
Magnetic exchange in {Gd(III)-radical} complexes: method assessment, mechanism of coupling and magneto-structural correlationsTulika Gupta, Thayalan Rajeshkumar, Gopalan RajaramanChemical Science|July 12, 2024
The interplay of covalency, cooperativity, and coupling strength in governing C-H bond activation in Ni2E2 (E = O, S, Se, Te) complexesSunita Sharma, Bhawana Pandey, 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 RajaramanChemical Science|November 19, 2020
Deciphering the origin of million-fold reactivity observed for the open core diiron [HO-FeIII-O-FeIV[double bond, length as m-dash]O]2+ 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 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 FeIV[double bond, length as m-dash]NTs/FeIV[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 RajaramanChemistry (Weinheim an Der Bergstrasse, Germany)|March 6, 2018
Axial vs. Equatorial Ligand Rivalry in Controlling the Reactivity of Iron(IV)-Oxo Species: Single-State vs. Two-State ReactivityRavi Kumar, Azaj Ansari, Gopalan RajaramanAngewandte Chemie (International Ed. in English)|November 25, 2014
C-H bond activation by metal-superoxo species: what drives high reactivity?Azaj Ansari, Prabha Jayapal, Gopalan RajaramanPageof 29