Computational Modelling of Molecular Nanomagnets
Gopalan Rajaraman
Ogo 2023 · Challenges and Advances in Computational Chemistry and Physics Buku 34 · Springer Nature
e-Buku
499
Halaman
reportRating dan ulasan tidak disahkan Ketahui Lebih Lanjut
Perihal e-buku ini
This book summarizes the state-of-the-art advances in the area of computational modelling of molecule-based magnets. Nowadays, various computational tools based on DFT, ab initio methods and other techniques are gaining attention in molecular nanomagnets and are successfully used to solve several outstanding problems in this area. This contributed volume discusses the theoretical foundation of the modelling of molecular magnets, starting from fitting the experimental magnetic data of very large molecules to the theory of pseudo-spin Hamiltonian approach and spin-phonon relaxations mechanisms, while it also presents examples of contemporary applications of both transition metal and lanthanide molecular magnets. In addition, the transport characteristics of molecules when placed at an interface and how these assemble on surfaces are also reviewed. This book is a great tool for researchers working in the fields of molecular magnetism and computational/theoretical chemistry and will also benefit graduate students specializing in physical-inorganic chemistry and molecular modelling.
Chapter 6 is available open access under a Creative Commons Attribution 4.0 International License via link.springer.com.
Chapter 6 is available open access under a Creative Commons Attribution 4.0 International License via link.springer.com.
Perihal pengarang
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.
Berikan rating untuk e-Buku ini
Beritahu kami pendapat anda.
Maklumat pembacaan
Telefon pintar dan tablet
Pasang apl Google Play Books untuk Android dan iPad/iPhone. Apl ini menyegerak secara automatik dengan akaun anda dan membenarkan anda membaca di dalam atau luar talian, walau di mana jua anda berada.
Komputer riba dan komputer
Anda boleh mendengar buku audio yang dibeli di Google Play menggunakan penyemak imbas web komputer anda.
eReader dan peranti lain
Untuk membaca pada peranti e-dakwat seperti Kobo eReaders, anda perlu memuat turun fail dan memindahkan fail itu ke peranti anda. Sila ikut arahan Pusat Bantuan yang terperinci untuk memindahkan fail ke e-Pembaca yang disokong.
