標(biāo)題: Titlebook: Computational Modelling of Molecular Nanomagnets; Gopalan Rajaraman Book 2023 The Editor(s) (if applicable) and The Author(s), under exclu [打印本頁] 作者: Halcyon 時間: 2025-3-21 16:27
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書目名稱Computational Modelling of Molecular Nanomagnets讀者反饋學(xué)科排名
作者: 諂媚于性 時間: 2025-3-21 23:52
Calculations of Magnetic Exchange in Multinuclear Compounds,ling of the magnetic dipole–dipole and exchange interactions within the Lines model, and the recently developed kinetic exchange model?is described alongside several recent examples. The last section offers a review of several results obtained recently and gives our perspective on how to achieve an 作者: Halfhearted 時間: 2025-3-22 03:30
Exact Diagonalization Techniques for Quantum Spin Systems,pplication. However, the applicability of exact diagonalization is limited by the exponential growth of the Hilbert space of the spin system with the number of spins: .. Nowadays, complex Hermitian matrices of a linear dimension of about 100,000 can be completely diagonalized on supercomputers which作者: LIKEN 時間: 2025-3-22 08:01
,Modeling Magnetic Properties of?Actinide Complexes, by a close interplay between experimental data which are sparse for transuranide complexes due to radioactivity, numerical methods, and model Hamiltonians that one succeeds to unravel the electronic structure and magnetic properties of these complexes.作者: facetious 時間: 2025-3-22 10:40
,Spin-Phonon Relaxation in?Magnetic Molecules: Theory, Predictions and?Insights,thods to obtain a quantitative picture of spin-phonon relaxation. Examples from the literature, including both transition metals and lanthanides compounds, will be discussed in order to illustrate how Direct, Orbach, and Raman relaxation mechanisms can affect spin dynamics for this class of compound作者: FUME 時間: 2025-3-22 14:27
Ab Initio Modelling of Lanthanide-Based Molecular Magnets: Where to from Here?,possess very large . values and decent blocking temperatures. Particularly, molecules with . symmetry played an important role in understanding various contributions to the barrier height, and more than fifty molecules are reported now, with several variations yielding the absence of SIM behaviour t作者: FUME 時間: 2025-3-22 20:09
Molecular Magnets on Surfaces: In Silico Recipes for a Successful Marriage,te to the ‘heaven’ of operating molecular devices. The objectives of this chapter are threefold: (i) to introduce the reader to the criteria to be considered in the computational engineering of the in silico experiment for the MM@surface scenario; (ii) to give indications on the surface modelling an作者: 紋章 時間: 2025-3-23 00:28 作者: 填料 時間: 2025-3-23 03:41
Book 2023working 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作者: Trypsin 時間: 2025-3-23 06:35
2542-4491 izing in physical-inorganic chemistry and molecular modelling..Chapter 6 is available open access under a Creative Commons Attribution 4.0 International License via lin978-3-031-31040-9978-3-031-31038-6Series ISSN 2542-4491 Series E-ISSN 2542-4483 作者: Lipohypertrophy 時間: 2025-3-23 12:43 作者: 精致 時間: 2025-3-23 14:01 作者: Debrief 時間: 2025-3-23 20:53 作者: Vldl379 時間: 2025-3-23 22:11
C. Chur,B. Engeser,L. Wohlgemuth by a close interplay between experimental data which are sparse for transuranide complexes due to radioactivity, numerical methods, and model Hamiltonians that one succeeds to unravel the electronic structure and magnetic properties of these complexes.作者: 最低點 時間: 2025-3-24 04:55 作者: 聯(lián)合 時間: 2025-3-24 10:01 作者: 惡心 時間: 2025-3-24 11:41
Conceptual Foundations of Super-Flexibility,te to the ‘heaven’ of operating molecular devices. The objectives of this chapter are threefold: (i) to introduce the reader to the criteria to be considered in the computational engineering of the in silico experiment for the MM@surface scenario; (ii) to give indications on the surface modelling an作者: Defraud 時間: 2025-3-24 16:15
The Need for Super-Flexibility,description of molecular devices is inherently complex due to their increased size in comparison with molecular systems, the combination of components with contrasting electronic structure, and the non-equilibrium nature of the transport problem. Furthermore, the description of spin-polarized system作者: 咽下 時間: 2025-3-24 22:48
Super Sinne - Warum wir 32 davon haben their use in combination with different levels of modelization of interactions which still cannot be reliably treated from the first principles such as exchange interactions in polynuclear complexes. Finally, the perspectives of application of ab initio methods for the description of novel phenomena in molecular magnets are discussed.作者: 縱火 時間: 2025-3-25 02:47
Ab Initio Investigation of Anisotropic Magnetism and Magnetization Blocking in Metal Complexes, their use in combination with different levels of modelization of interactions which still cannot be reliably treated from the first principles such as exchange interactions in polynuclear complexes. Finally, the perspectives of application of ab initio methods for the description of novel phenomena in molecular magnets are discussed.作者: Metastasis 時間: 2025-3-25 05:05
2542-4491 perts in the fieldThis 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 t作者: ARCHE 時間: 2025-3-25 07:29 作者: 加花粗鄙人 時間: 2025-3-25 13:59
https://doi.org/10.1007/978-3-031-31038-6Single Molecule Magnets (SMMs); Magnetic Anisotropy of Lanthanides/Actinides; Single-ion Magnets; Spin-作者: 未開化 時間: 2025-3-25 18:49
978-3-031-31040-9The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Switzerl作者: 矛盾心理 時間: 2025-3-25 20:05
Gopalan RajaramanIncludes theory on fitting experimental magnetic data.Covers theoretical foundations as well as applications.Contributions are written by experts in the field作者: 祖?zhèn)髫敭a(chǎn) 時間: 2025-3-26 03:56 作者: 蜈蚣 時間: 2025-3-26 07:16 作者: 生來 時間: 2025-3-26 12:20
Super Sinne - Warum wir 32 davon haben magnitude of both the zero-field-splitting and the anisotropies of magnetic exchange. The first section is devoted to mononuclear complexes. It addresses the effect of spin–orbit coupling (SOC) in two different cases: (i) when the ground state is non-degenerate and a second-order SOC applies. The e作者: Induction 時間: 2025-3-26 14:56 作者: Catheter 時間: 2025-3-26 20:14 作者: Conjuction 時間: 2025-3-26 22:44 作者: 蒼白 時間: 2025-3-27 01:24 作者: 勉強 時間: 2025-3-27 08:02
The Need for Super-Flexibility, or so. These methods not only offer insight into the molecules that are reported but also hold a significant predictive potential to take this area forward. In this chapter, we aim to give an overview of the electronic structure method (ab initio SA-CASSCF/RASSI-SO/SINGLE_ANISO) to interpret, analy作者: Dorsal-Kyphosis 時間: 2025-3-27 11:17
Conceptual Foundations of Super-Flexibility,ay well understand why you need to study surfaces and their interactions with molecular magnets (MMs). Indeed, the stairway to MM-based devices are made of several steps of which the adsorption on the surface (@surface) represents the first and crucial one. Ab initio characterization of molecular ma作者: ALIEN 時間: 2025-3-27 17:01
The Need for Super-Flexibility, use of magnetic molecules as active components in these devices paves the way for the design of new spin-based devices, even controlling single spin centers. For instance, magnetic materials have been proposed as components to build spin valves in which the relative orientation of the magnetization作者: assail 時間: 2025-3-27 20:29
Computational Modelling of Molecular Nanomagnets978-3-031-31038-6Series ISSN 2542-4491 Series E-ISSN 2542-4483 作者: Banquet 時間: 2025-3-27 22:26
Ab Initio Investigation of Anisotropic Magnetism and Magnetization Blocking in Metal Complexes,ental techniques and advanced theoretical tools. In this chapter, the application of ab initio approaches to the investigation of strongly anisotropic magnetic complexes is reviewed. The role of first-principles calculations in the extraction of comprehensive information on magnetic interactions, a 作者: 手榴彈 時間: 2025-3-28 03:14
Analytical Derivations for the Description of Magnetic Anisotropy in Transition Metal Complexes, magnitude of both the zero-field-splitting and the anisotropies of magnetic exchange. The first section is devoted to mononuclear complexes. It addresses the effect of spin–orbit coupling (SOC) in two different cases: (i) when the ground state is non-degenerate and a second-order SOC applies. The e作者: 6Applepolish 時間: 2025-3-28 07:25 作者: 形容詞詞尾 時間: 2025-3-28 13:01 作者: RALES 時間: 2025-3-28 14:59
,Modeling Magnetic Properties of?Actinide Complexes,y related to their electronic structure, which is difficult to achieve since none of crystal-field effects, electron-electron repulsion nor spin-orbit interaction is predominant. The electronic structure should be analyzed within the intermediate coupling scheme, between on one hand the Russell-Saun作者: 反省 時間: 2025-3-28 22:24
,Spin-Phonon Relaxation in?Magnetic Molecules: Theory, Predictions and?Insights,cutting-edge scientific fields such as magnetic resonance, magnetism, spintronics, and quantum technologies. Crucially, a long spin lifetime well above cryogenic temperature is a stringent requirement for all these applications. In this chapter, we review the foundations of spin relaxation theory an作者: STANT 時間: 2025-3-29 01:54 作者: arthroscopy 時間: 2025-3-29 05:30
Molecular Magnets on Surfaces: In Silico Recipes for a Successful Marriage,ay well understand why you need to study surfaces and their interactions with molecular magnets (MMs). Indeed, the stairway to MM-based devices are made of several steps of which the adsorption on the surface (@surface) represents the first and crucial one. Ab initio characterization of molecular ma作者: rheumatism 時間: 2025-3-29 09:14
Theoretical Approaches for Electron Transport Through Magnetic Molecules, use of magnetic molecules as active components in these devices paves the way for the design of new spin-based devices, even controlling single spin centers. For instance, magnetic materials have been proposed as components to build spin valves in which the relative orientation of the magnetization
