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Data-powered augmented volcano plots for homogeneous catalysis

Given the computational resources available today, data-driven approaches can propel the next leap forward in catalyst design. Using a data-driven inspired workflow consisting of data generation, statistical analysis, and dimensionality reduction algorithms we explore trends surrounding the thermody...

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Detalles Bibliográficos
Autores principales: Wodrich, Matthew D., Fabrizio, Alberto, Meyer, Benjamin, Corminboeuf, Clemence
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8162462/
https://www.ncbi.nlm.nih.gov/pubmed/34123219
http://dx.doi.org/10.1039/d0sc04289g