Protolysis of pyrophyllite {110} edge. Dataset associated with Project PID2020-114355GB-I00 PALYTECH, CONCERNING Task 1.3. Computational modeling of surface alteration of palygorskite [Dataset]
Research supported by Grant PID2020-114355GB-100 funded by MCIN/AEI/ 10.13039/501100011033 and by ÒERDF a way of making Europe. The authors thank Centro de Supercomputación y Bioinformática (SCBI/PAB), Universidad de Málaga, for the computation time. CPV thanks the GRICAD infrastructure (https://gri...
| Autores: | , , , |
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| Tipo de recurso: | conjunto de datos |
| Fecha de publicación: | 2025 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/401979 |
| Acceso en línea: | http://hdl.handle.net/10261/401979 https://doi.org/10.20350/digitalCSIC/17634 |
| Access Level: | acceso abierto |
| Palabra clave: | Pyrophyllite Molecular surface models DFT Protolysis reaction models Acid dissolution mechanism Surface reactivity |
| Sumario: | Research supported by Grant PID2020-114355GB-100 funded by MCIN/AEI/ 10.13039/501100011033 and by ÒERDF a way of making Europe. The authors thank Centro de Supercomputación y Bioinformática (SCBI/PAB), Universidad de Málaga, for the computation time. CPV thanks the GRICAD infrastructure (https://gricad.univ-grenoble-alpes.fr), which is supported by Grenoble research communities. |
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