Relating atomic energy,radius and electronegativity through compression |
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| Authors: | Martin Rahm Paul Erhart Roberto Cammi |
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| Institution: | Department of Chemistry and Chemical Engineering, Chalmers University of Technology, SE-412 96 Gothenburg Sweden.; Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg Sweden ; Department of Chemical Science, Life Science and Environmental Sustainability, University of Parma, Parma Italy |
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| Abstract: | Trends in atomic properties are well-established tools for guiding the analysis and discovery of materials. Here, we show how compression can reveal a long sought-after connection between two central chemical concepts – van-der-Waals (vdW) radii and electronegativity – and how these relate to the driving forces behind chemical and physical transformations.Compression is used to derive a long sought-after connection between two central chemical concepts – van-der-Waals (vdW) radii and electronegativity – and how these relate to the driving forces behind chemical and physical transformations. |
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