The role of computational results databases in accelerating the discovery of catalysts

doi:10.1038/s41929-018-0176-4

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RECERCAT Home > Centres de Recerca de Catalunya (CERCA) > Institut Català d'Investigació Química (ICIQ) > Papers > View document

Use this identifier to quote or link this document: http://hdl.handle.net/2072/359779

Title:	The role of computational results databases in accelerating the discovery of catalysts
Author:	Bo, Carles; Maseras, Feliu; López, Núria
Abstract:	Databases of computational results hold high promise for accelerating catalysis research. Still, many challenges remain and consensus on facets such as metadata, reliability and curation is crucial to transform the hype into an attractive technology
Publication date:	2018-10-15
Subject(s):	54
Rights:	L'accés als continguts d'aquest document queda condicionat a l'acceptació de les condicions d'ús establertes per la següent llicència Creative Commons:http://creativecommons.org/licenses/by-nc-nd/4.0/
Pages:	809 p.
Document type:	Article Article - Accepted version
DOI:	10.1038/s41929-018-0176-4
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