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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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发表于 2025-3-21 19:21:23 | 显示全部楼层 |阅读模式
书目名称Clusters
副标题Structure, Bonding a
编辑Minh Tho Nguyen,Boggavarapu Kiran
视频video
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:
丛书名称Challenges and Advances in Computational Chemistry and Physics
图书封面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
关键词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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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.
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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.
发表于 2025-3-22 16:10:20 | 显示全部楼层
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
发表于 2025-3-22 18:49:39 | 显示全部楼层
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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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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