| 书目名称 | Computational Modelling of Molecular Nanomagnets |
| 编辑 | Gopalan Rajaraman |
| 视频video | |
| 概述 | Includes theory on fitting experimental magnetic data.Covers theoretical foundations as well as applications.Contributions are written by experts in the field |
| 丛书名称 | Challenges and Advances in Computational Chemistry and Physics |
| 图书封面 |  |
| 描述 | 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 lin |
| 出版日期 | Book 2023 |
| 关键词 | Single Molecule Magnets (SMMs); Magnetic Anisotropy of Lanthanides/Actinides; Single-ion Magnets; Spin- |
| 版次 | 1 |
| doi | https://doi.org/10.1007/978-3-031-31038-6 |
| isbn_softcover | 978-3-031-31040-9 |
| isbn_ebook | 978-3-031-31038-6Series ISSN 2542-4491 Series E-ISSN 2542-4483 |
| issn_series | 2542-4491 |
| copyright | The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Switzerl |
发表于 2025-3-21 16:27:11
