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Calculation of site-specific carbon-isotope fractionation in pedogenic oxide minerals
Ab initio molecular dynamics and quantum chemistry techniques are used to calculate the structure, vibrational frequencies, and carbon-isotope fractionation factors of the carbon dioxide component [CO(2)(m)] of soil (oxy)hydroxide minerals goethite, diaspore, and gibbsite. We have identified two pos...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
National Academy of Sciences
2008
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| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2475500/ https://ncbi.nlm.nih.gov/pubmed/18641124 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0801571105 |
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