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首页> 外文期刊>Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics >Recent progress in theoretical investigations of the electronic structure of the transactinides
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Recent progress in theoretical investigations of the electronic structure of the transactinides

机译:反act系元素电子结构理论研究的最新进展

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An overview is given of the recent development in the theory of molecular codes focusing on a newly developed version of the Dirac-Slater discrete-variational (DS-DV) method far complex multiatomic systems. Emphasis is put on the calculations of the chemical bonding in heavy element compounds. A new model to predict complex formation and extraction of the transactinides on the basis of the DS-DV molecular-orbital calculations is presented. (C) 1998 Elsevier Science S.A. [References: 30]
机译:概述了分子代码理论的最新进展,重点是Dirac-Slater离散变分(DS-DV)方法远远复杂的多原子系统的新开发版本。重在计算重元素化合物中的化学键。提出了一种基于DS-DV分子轨道计算预测反式肌动蛋白的复杂形成和提取的新模型。 (C)1998 Elsevier Science S.A. [参考:30]

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