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High-pressure polymeric phases of carbon dioxide
Understanding the structural transformations of solid CO(2) from a molecular solid characterized by weak intermolecular bonding to a 3-dimensional network solid at high pressure has challenged researchers for the past decade. We employ the recently developed metadynamics method combined with ab init...
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| Main Authors: | , , , , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
National Academy of Sciences
2009
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2669398/ https://ncbi.nlm.nih.gov/pubmed/19332796 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0812624106 |
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