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Physical Chemistry Chemical Physics : PCCP|May 10, 2014
ortho-Hydroxylation of aromatic acids by a non-heme Fe(V)=O species: how important is the ligand design?Azaj Ansari, Gopalan RajaramanChemical Communications (Cambridge, England)|May 26, 2022
<i>In silico</i> design criteria for high blocking barrier uranium (III) SIMsSourav Dey, Gopalan RajaramanChemical Communications (Cambridge, England)|June 29, 2019
Deciphering the origin of variation in the spin ground state and oxidation state of a {Mn<sub>19</sub>} cluster on a Au(111) surface: is the Au(111) surface innocent?Rizwan Nabi, Gopalan RajaramanChemical Science|November 11, 2021
Attaining record-high magnetic exchange, magnetic anisotropy and blocking barriers in dilanthanofullerenesSourav Dey, Gopalan RajaramanChemistry (Weinheim an Der Bergstrasse, Germany)|November 30, 2013
Can anisotropic exchange be reliably calculated using density functional methods? A case study on trinuclear Mn(III)-M(III)-Mn(III) (M=Fe, Ru, and Os) cyanometalate single-molecule magnetsSaurabh Kumar Singh, Gopalan RajaramanDalton Transactions (Cambridge, England : 2003)|January 8, 2013
Decisive interactions that determine ferro/antiferromagnetic coupling in {3d-4f} pairs: a case study on dinuclear {V(IV)-Gd(III)} complexesSaurabh Kumar Singh, Gopalan RajaramanNature Communications|February 18, 2016
Deciphering the origin of giant magnetic anisotropy and fast quantum tunnelling in Rhenium(IV) single-molecule magnetsSaurabh Kumar Singh, Gopalan RajaramanChemical Communications (Cambridge, England)|November 18, 2016
Acquiring a record barrier height for magnetization reversal in lanthanide encapsulated fullerene molecules using DFT and ab initio calculationsMukesh Kumar Singh, Gopalan RajaramanChemistry (Weinheim an Der Bergstrasse, Germany)|April 5, 2014
Probing the origin of magnetic anisotropy in a dinuclear {Mn(III)Cu(II)} single-molecule magnet: the role of exchange anisotropySaurabh Kumar Singh, Gopalan RajaramanInorganic Chemistry|February 12, 2019
Theoretical Studies on Hexanuclear [M<sub>3</sub>(μ<sub>3</sub>-O/OH)]<sub>2</sub> (M = Fe(III), Mn(III), and Ni(II)) Clusters: Magnetic Exchange, Magnetic Anisotropy, and Magneto-Structural CorrelationsMukesh Kumar Singh, Gopalan RajaramanPageof 29