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Titlebook: Clusters; Structure, Bonding a Minh Tho Nguyen,Boggavarapu Kiran Book 2017 Springer International Publishing AG 2017 Binary Clusters.Comput

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發(fā)表于 2025-3-21 19:21:23 | 只看該作者 |倒序瀏覽 |閱讀模式
書目名稱Clusters
副標題Structure, Bonding a
編輯Minh Tho Nguyen,Boggavarapu Kiran
視頻videohttp://file.papertrans.cn/229/228555/228555.mp4
概述Provides a recent overview of atomic cluster chemistry and physics.Experimental and theoretical aspects handled.Contains review type chapter contributions.Includes supplementary material:
叢書名稱Challenges and Advances in Computational Chemistry and Physics
圖書封面Titlebook: Clusters; Structure, Bonding a Minh Tho Nguyen,Boggavarapu Kiran Book 2017 Springer International Publishing AG 2017 Binary Clusters.Comput
描述The field of atomic clusters continues to attract great interest amongst physicists and chemists alike. This is in part due to their intrinsic properties and potential industrial applications. The first part of Binary Clusters is devoted to recent developments in experimental techniques, the second part covers a variety of theoretical approaches. Different theoretical methods based on group/graph theories and quantum chemical computational methods as well as various spectroscopy techniques (such as mass, laser, infrared, photoelectron etc.) are applied to the determination of the existence of geometrical and electronic structures, chemical bonding phenomena, and the thermodynamic stabilities of several classes of binary clusters. All chapters within this review volume have been contributed by experts in chemistry, physics, and material sciences based at the University of Leuven, Belgium. This book is aimed at professionals and students working in cluster science.
出版日期Book 2017
關鍵詞Binary Clusters; Computational Quantum Chemical Methods; Doped Clusters; Dual-laser Mass Spectroscopy; I
版次1
doihttps://doi.org/10.1007/978-3-319-48918-6
isbn_softcover978-3-319-84047-5
isbn_ebook978-3-319-48918-6Series ISSN 2542-4491 Series E-ISSN 2542-4483
issn_series 2542-4491
copyrightSpringer International Publishing AG 2017
The information of publication is updating

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沙發(fā)
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板凳
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Global Optimisation Strategies for Nanoalloys,oped in recent years, in order to bridge the gap between isolated, bare clusters, and the situation observed under experimental conditions. We summarise these developments and consider the developments necessary to improve binary cluster global optimisation in the near future.
地板
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Submersion Kinetics of Ionized Impurities into Helium Droplets by Ring-Polymer Molecular Dynamics Snking of this ‘snowball’ to the droplet center and accompanied by the evaporation of several helium atoms in the process. Characteristic times are evaluated as a function of impurity and cluster sizes.
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發(fā)表于 2025-3-22 16:10:20 | 只看該作者
Structure, Stability and Electron Counting Rules in Transition Metal Encapsulated Silicon and Germae under different experimental conditions, making it somewhat unclear whose stability one has to explain. Faced with such challenges, a large number of experimental and theoretical studies were devoted to elucidating these issues. Quite early on, some authors (Sen and Mitas, e.g.) argued that electr
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發(fā)表于 2025-3-22 18:49:39 | 只看該作者
Transition Metal Doped Boron Clusters: Structure and Bonding of BnM2 Cycles and Tubes,. (π). (π*). (δ). (σ.). (δ*).]. At least 20 electrons are thus needed to populate the electron shell. However, there is no fixed electron count, but this rather depends on the nature of the metallic dopants.
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發(fā)表于 2025-3-22 23:22:55 | 只看該作者
Magnetic Anisotropy Energy of Transition Metal Alloy Clusters, avenue for passivation in this work. We consider the As@Ni.@As. cluster which in the neutral state has a magnetic moment of 3 μ.. We dope this cluster by substituting various numbers of Ni atoms by Mn atoms. The substitutional doping leads to spin moments located mostly on the Mn atoms. The doping
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