Impact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models

Detalles Bibliográficos
Autores principales: Urrego-Ortiz, Ricardo, Builes, Santiago, Calle-Vallejo, Federico
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9017217/
https://www.ncbi.nlm.nih.gov/pubmed/35465243
http://dx.doi.org/10.1021/acscatal.1c05333
_version_ 1784688730710212608
author Urrego-Ortiz, Ricardo
Builes, Santiago
Calle-Vallejo, Federico
author_facet Urrego-Ortiz, Ricardo
Builes, Santiago
Calle-Vallejo, Federico
author_sort Urrego-Ortiz, Ricardo
collection PubMed
description
format Online
Article
Text
id pubmed-9017217
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher American Chemical Society
record_format MEDLINE/PubMed
spelling pubmed-90172172022-04-20 Impact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models Urrego-Ortiz, Ricardo Builes, Santiago Calle-Vallejo, Federico ACS Catal American Chemical Society 2022-04-06 2022-04-15 /pmc/articles/PMC9017217/ /pubmed/35465243 http://dx.doi.org/10.1021/acscatal.1c05333 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Urrego-Ortiz, Ricardo
Builes, Santiago
Calle-Vallejo, Federico
Impact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models
title Impact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models
title_full Impact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models
title_fullStr Impact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models
title_full_unstemmed Impact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models
title_short Impact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models
title_sort impact of intrinsic density functional theory errors on the predictive power of nitrogen cycle electrocatalysis models
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9017217/
https://www.ncbi.nlm.nih.gov/pubmed/35465243
http://dx.doi.org/10.1021/acscatal.1c05333
work_keys_str_mv AT urregoortizricardo impactofintrinsicdensityfunctionaltheoryerrorsonthepredictivepowerofnitrogencycleelectrocatalysismodels
AT builessantiago impactofintrinsicdensityfunctionaltheoryerrorsonthepredictivepowerofnitrogencycleelectrocatalysismodels
AT callevallejofederico impactofintrinsicdensityfunctionaltheoryerrorsonthepredictivepowerofnitrogencycleelectrocatalysismodels

Ejemplares similares