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Metals 2018, 8(9), 705; https://doi.org/10.3390/met8090705

First-Principles Approaches to Metals, Alloys, and Metallic Compounds

Chair of Solid State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, D-52056 Aachen, Germany
Received: 4 September 2018 / Accepted: 6 September 2018 / Published: 7 September 2018
(This article belongs to the Special Issue First-Principles Approaches to Metals, Alloys, and Metallic Compounds)
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At the beginning of the 21st century, electronic-structure theory has matured to a degree that allows for accurate phase prediction and computational characterization of various kinds of materials; in particular, elemental metals adopting whatever allotropic structure, various intermetallic compounds, and other complex metal-rich phases. [...] View Full-Text
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).
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Dronskowski, R. First-Principles Approaches to Metals, Alloys, and Metallic Compounds. Metals 2018, 8, 705.

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