Relating atomic energy, radius and electronegativity through compression

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 dr...

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Detalles Bibliográficos
Autores principales: Rahm, Martin, Erhart, Paul, Cammi, Roberto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8179346/
https://www.ncbi.nlm.nih.gov/pubmed/34164004
http://dx.doi.org/10.1039/d0sc06675c
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author Rahm, Martin
Erhart, Paul
Cammi, Roberto
author_facet Rahm, Martin
Erhart, Paul
Cammi, Roberto
author_sort Rahm, Martin
collection PubMed
description 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.
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spelling pubmed-81793462021-06-22 Relating atomic energy, radius and electronegativity through compression Rahm, Martin Erhart, Paul Cammi, Roberto Chem Sci Chemistry 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. The Royal Society of Chemistry 2021-01-28 /pmc/articles/PMC8179346/ /pubmed/34164004 http://dx.doi.org/10.1039/d0sc06675c Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/
spellingShingle Chemistry
Rahm, Martin
Erhart, Paul
Cammi, Roberto
Relating atomic energy, radius and electronegativity through compression
title Relating atomic energy, radius and electronegativity through compression
title_full Relating atomic energy, radius and electronegativity through compression
title_fullStr Relating atomic energy, radius and electronegativity through compression
title_full_unstemmed Relating atomic energy, radius and electronegativity through compression
title_short Relating atomic energy, radius and electronegativity through compression
title_sort relating atomic energy, radius and electronegativity through compression
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8179346/
https://www.ncbi.nlm.nih.gov/pubmed/34164004
http://dx.doi.org/10.1039/d0sc06675c
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AT erhartpaul relatingatomicenergyradiusandelectronegativitythroughcompression
AT cammiroberto relatingatomicenergyradiusandelectronegativitythroughcompression

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