Molecular solids of actinide hexacyanoferrate: Structure and bonding
نویسندگان
چکیده
منابع مشابه
Molecular cluster theory of chemical bonding in actinide oxides
— The electronic structure of actinide monoxides AcO and dioxides Ac02 , where Ac = Th, U, Np, Pu, Am, Cm and Bk has been studied by molecular cluster methods based on the first-principles one-electron local density theory. Molecular orbitals for nearest neighbour clusters Ac06 and AcOs representative of monoxide and dioxide lattices were obtained using non-relativistic spin-restricted and spin...
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The three dimensional shape or configuration of a molecule is an important characteristic. This shape is dependent on the preferred spatial orientation of covalent bonds to atoms having two or more bonding partners. Three dimensional configurations are best viewed with the aid of models. In order to represent such configurations on a two-dimensional surface (paper, blackboard or screen), we oft...
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In comparison to 3d or 4 f metals, magnetism in actinides remains poorly understood due to experimental complications and the exotic behavior of the 5 f states. In particular, plutonium metal is most especially vexing. Over the last five decades theories proposed the presence of either ordered or disordered local moments at low temperatures. However, experiments such as magnetic susceptibility,...
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Molecular dynamics simulations of structural and dynamic characteristics of molecular clusters are proving to be a valuable aid in the interpretation of properties of molecular liquids and solids. The role of clusters as computationally tractable models of condensed matter undergoing phase changes is analyzed.
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ژورنال
عنوان ژورنال: IOP Conference Series: Materials Science and Engineering
سال: 2010
ISSN: 1757-899X
DOI: 10.1088/1757-899x/9/1/012026