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Small (Weinheim an Der Bergstrasse, Germany)|February 21, 2025
Surface Stabilization to Enhance Single Molecule Toroidal Behavior in {Dy3} Molecules: the Impact of Au(111), MgO, and Graphene SurfacesDeepanshu Chauhan, Rupesh Kumar Tiwari, Gopalan RajaramanDalton Transactions (Cambridge, England : 2003)|August 9, 2023
The role of agostic interaction in the mechanism of ethylene polymerisation using Cr(III) half-sandwich complexes: What dictates the reactivity?Thakur Rochak Kumar Rana, Abinash Swain, Gopalan RajaramanChemistry (Weinheim an Der Bergstrasse, Germany)|May 12, 2021
Enantiopure Polyradical Tetrahedral Pd12 L6 CagesPrabhakaran Rajasekar, Abinash Swain, Gopalan Rajaraman, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|November 24, 2015
Role of Magnetic Exchange Interactions in the Magnetization Relaxation of {3d-4f} Single-Molecule Magnets: A Theoretical PerspectiveSaurabh Kumar Singh, Mohammad Faizan Beg, Gopalan RajaramanJournal of Chemical Sciences (Bangalore, India)|March 20, 2023
Role of molecular modelling in the development of metal-organic framework for gas adsorption applicationsReshma Jose, Garima Bangar, Sourav Pal, et al.Inorganic Chemistry|March 16, 2026
Uncovering Giant Magnetic Anisotropy in Co(II) Single-Ion Magnets via Combined Ab Initio and Machine-Learning ApproachesRajanikanta Rana, Abinash Swain, Garima Bangar, et al.Dalton Transactions (Cambridge, England : 2003)|July 7, 2018
Deciphering the origin of invariance in magnetic anisotropy in {FeIIS4} complexes: a theoretical perspectiveArup Sarkar, Gunasekaran Velmurugan, Thayalan Rajeshkumar, et al.Dalton Transactions (Cambridge, England : 2003)|August 16, 2011
Density functional studies on dinuclear {Ni(II)Gd(III)} and trinuclear {Ni(II)Gd(III)Ni(II)} complexes: magnetic exchange and magneto-structural mapsSaurabh Kumar Singh, Neeraj Kumar Tibrewal, Gopalan RajaramanChemistry, an Asian Journal|September 7, 2019
Magnetic Anisotropy in CoII X4 (X=O, S, Se) Single-Ion Magnets: Role of Structural Distortions versus Heavy Atom EffectArup Sarkar, Subrata Tewary, Shwetali Sinkar, et al.ACS Applied Materials & Interfaces|March 10, 2022
Electric-Field-Induced Solid-Gas Interfacial Chemical Reaction in Carbon Nanotube Ensembles: Route toward Ultra-sensitive Gas DetectorsItisha Dwivedi, Arup Sarkar, Gopalan Rajaraman, et al.Pageof 29