Description
Computational Modelling of Molecular Nanomagnets, 1st ed. 2023
Challenges and Advances in Computational Chemistry and Physics Series, Vol. 34
Coordinator: Rajaraman Gopalan
Language: EnglishSubject for Computational Modelling of Molecular Nanomagnets:
499 p. · 15.5x23.5 cm · Hardback
Description
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Prof. Gopalan Rajaraman is a Institute Chair Professor at the Department of Chemistry of the Indian Institute of Technology Bombay, Mumbai, India. His research focuses on modelling the magnetic properties of molecular magnets, using DFT and ab initio methods. Prof. Rajaraman has published more than 200 research articles in lanthanide magnets, {3d-4f} SMMs, transition metalsingle-ion magnets, polynuclear single molecule magnets etc. Recently his group is utilizing DFT and ab initio methods to predict robust SMMs based on coordination and endohedral fullerene molecules, many of which are proved by experiments.