Replication Data for: Modeling Nazarov Cyclization inside a [Si4L6]8- Nanocage: Effects of Charge and Size
The dataset contains simulation data and density functional theory calculations data for a computational study on modeling Nazarov Cyclization within a [Si4L6]8- Nanocage. The purpose of the dataset is for the data availability of the research.
| Autores: | , |
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| Tipo de recurso: | conjunto de datos |
| Fecha de publicación: | 2026 |
| País: | España |
| Institución: | Consorci de Serveis Universitaris de Catalunya (CSUC) |
| Repositorio: | CORA.Repositori de Dades de Recerca |
| OAI Identifier: | oai:dnet:cora.rdr____::72169848386d38aafb3d842a321dc7bd |
| Acceso en línea: | https://doi.org/10.34810/DATA2867 |
| Access Level: | acceso abierto |
| Palabra clave: | Chemistry Nazarov cyclization Host-guest complex Density functional theory calculations Molecular dynamics |
| Sumario: | The dataset contains simulation data and density functional theory calculations data for a computational study on modeling Nazarov Cyclization within a [Si4L6]8- Nanocage. The purpose of the dataset is for the data availability of the research. |
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