Is the calcite–water interface understood?: Direct comparisons of molecular dynamics simulations with specular x-ray reflectivity data
New insights into the understanding of calcite-water interface structure are obtained through direct comparisons of multiple classical molecular dynamics (MD) simulations with high-resolution specular X-ray reflectivity (XR) data. This set of comparisons, with four different state of-the-art force f...
| Main Authors: | , , , |
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| Format: | Journal Article |
| Published: |
American Chemical Society
2012
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| Online Access: | http://hdl.handle.net/20.500.11937/7055 |