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Inorganic Chemistry|January 13, 2022
Deciphering the Role of Symmetry and Ligand Field in Designing Three-Coordinate Uranium and Plutonium Single-Molecule MagnetsSourav Dey, Gopalan RajaramanChemical Science|June 14, 2021
Modulating magnetic anisotropy in Ln(iii) single-ion magnets using an external electric fieldArup Sarkar, Gopalan RajaramanDalton Transactions (Cambridge, England : 2003)|December 12, 2022
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?Mursaleem Ansari, Gopalan RajaramanInorganic Chemistry|December 31, 2025
Philicity-Guided Reactivity in Metal-Superoxo Species: Bridging Enzymatic Function to Biomimetic DesignChandrasekhar Nettem, Gopalan RajaramanDalton Transactions (Cambridge, England : 2003)|May 26, 2026
Computational insights into the encapsulation of a Dy(III) bis(amide)-alkene single-ion magnet within porous frameworksGarima Bangar, Gopalan RajaramanDalton Transactions (Cambridge, England : 2003)|October 20, 2020
An approach to estimate the barrier height for magnetisation reversal in {Dy<sub>2</sub>} SMMs using <i>ab initio</i> calculationsSourav Dey, Gopalan RajaramanInorganic Chemistry|December 13, 2007
Epoxidation and 1,2-dihydroxylation of alkenes by a nonheme iron model system - DFT supports the mechanism proposed by experimentPeter Comba, Gopalan RajaramanChemical Communications (Cambridge, England)|July 2, 2016
Modelling spin Hamiltonian parameters of molecular nanomagnetsTulika Gupta, Gopalan RajaramanChemical Communications (Cambridge, England)|October 28, 2025
Design strategies for single-molecule toroics in lanthanofullerene systemsTanu Sharma, Gopalan RajaramanPhysical Chemistry Chemical Physics : PCCP|May 31, 2012
On the controversy of metal ion composition on amine oxygenase (AurF): a computational investigationPrabha Jayapal, Gopalan RajaramanPageof 29