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Wiley, Angewandte Chemie International Edition, 50(52), p. 13202-13205, 2013

DOI: 10.1002/anie.201308039

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Melting at High Pressure: Can First-Principles Computational Chemistry Challenge Diamond-Anvil Cell Experiments?

Journal article published in 2013 by Jonas Wiebke, Elke Pahl ORCID, Peter Schwerdtfeger
This paper is available in a repository.
This paper is available in a repository.

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Abstract

Putting the bite on argon: Ab initio Monte Carlo simulations of superheated argon crystals at up to 100 GPa suggest that theory can provide a more accurate picture of high-pressure melting than modern diamond-anvil cell experiments.