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Inorganic Chemistry|January 6, 2026
Tailoring Dy(III) Single-Molecule Magnets Performance: Geometric and Magnetic Control via High-Intensity Oriented External Electric FieldsRupesh Kumar Tiwari, Gopalan RajaramanAngewandte Chemie (International Ed. in English)|February 21, 2025
Bridging the Oxo Wall: A New Perspective on High-valent Metal-Oxo Species and Their Reactivity in Mn, Fe, and Co ComplexesAsmita Sen, Sunita Sharma, Gopalan RajaramanJournal of the American Chemical Society|May 3, 2025
Leveraging Quantum Chemistry and Machine Learning for the Design of Low-Valent Transition Metal Catalysts in Nitrogen to Ammonia ConversionChandrasekhar Nettem, Ankit Mondal, Gopalan RajaramanChemical Communications (Cambridge, England)|February 15, 2023
Strategies to quench quantum tunneling of magnetization in lanthanide single molecule magnetsAbinash Swain, Tanu Sharma, Gopalan RajaramanChemical Communications (Cambridge, England)|December 2, 2021
A six-coordinate high-spin Fe<sup>IV</sup>O species of cucurbit[5]uril: a highly potent catalyst for C-H hydroxylation of methane, if synthesisedRavi Kumar, Mahesh Sundararajan, Gopalan RajaramanChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 4, 2022
A Theoretical Perspective to Decipher the Origin of High Hydrogen Storage Capacity in Mn(II) Metal-Organic FrameworkReshma Jose, Sourav Pal, Gopalan RajaramanChemistry (Weinheim an Der Bergstrasse, Germany)|August 25, 2022
Analysis of the Magnetic Coupling in a Mn(II)-U(V)-Mn(II) Single Molecule MagnetSourav Dey, Gopalan Rajaraman, Hélène BolvinInorganic Chemistry|April 12, 2007
A density functional theory study of the reaction of the biomimetic iron(II) complex of a tetradentate bispidine ligand with H2O2Peter Comba, Gopalan Rajaraman, Heidi RohwerChemistry (Weinheim an Der Bergstrasse, Germany)|July 31, 2020
Role of Coordination Number and Geometry in Controlling the Magnetic Anisotropy in Fe<sup>II</sup> , Co<sup>II</sup> , and Ni<sup>II</sup> Single-Ion MagnetsArup Sarkar, Sourav Dey, Gopalan RajaramanPhysical 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 RajaramanPageof 28