Computational Modelling of Molecular Nanomagnets
Gopalan Rajaraman
aug 2023. · Challenges and Advances in Computational Chemistry and Physics 34. knjiga · Springer Nature
E-knjiga
499
Broj stranica
reportOcjene i recenzije nisu potvrđene Saznajte više
O ovoj e-knjizi
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.
O autoru
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.
Ocijenite ovu e-knjigu
Recite nam šta mislite.
Informacije o čitanju
Pametni telefoni i tableti
Instalirajte aplikaciju Google Play Knjige za Android i iPad/iPhone uređaje. Aplikacija se automatski sinhronizira s vašim računom i omogućava vam čitanje na mreži ili van nje gdje god da se nalazite.
Laptopi i računari
Audio knjige koje su kupljene na Google Playu možete slušati pomoću web preglednika na vašem računaru.
Elektronički čitači i ostali uređaji
Da čitate na e-ink uređajima kao što su Kobo e-čitači, morat ćete preuzeti fajl i prenijeti ga na uređaj. Pratite detaljne upute Centra za pomoć da prenesete fajlove na podržane e-čitače.
