Gas-phase errors affect DFT-based electrocatalysis models of oxygen reduction to hydrogen peroxide (2022)
- Authors:
- USP affiliated authors: LANZA, MARCOS ROBERTO DE VASCONCELOS - IQSC ; ALMEIDA, MICHELL DE OLIVEIRA - IQSC
- Unidade: IQSC
- DOI: 10.1002/celc.202200210
- Subjects: ELETROQUÍMICA; PERÓXIDO DE HIDROGÊNIO; DENSIDADE; REDUÇÃO; OXIGÊNIO
- Keywords: density functional calculations; gas-phase errors; semiempirical corrections
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Título: ChemElectroChem
- ISSN: 2196-0216
- Volume/Número/Paginação/Ano: e202200210 p. 1-7, 2022
- Este periódico é de assinatura
- Este artigo é de acesso aberto
- URL de acesso aberto
- Cor do Acesso Aberto: hybrid
- Licença: cc-by
-
ABNT
ALMEIDA, Michell de Oliveira et al. Gas-phase errors affect DFT-based electrocatalysis models of oxygen reduction to hydrogen peroxide. ChemElectroChem, p. e202200210 1-7, 2022Tradução . . Disponível em: https://doi.org/10.1002/celc.202200210. Acesso em: 29 dez. 2025. -
APA
Almeida, M. de O., Kolb, M. J., Lanza, M. R. de V., Illas, F., & Calle-Vallejo, F. (2022). Gas-phase errors affect DFT-based electrocatalysis models of oxygen reduction to hydrogen peroxide. ChemElectroChem, e202200210 1-7. doi:10.1002/celc.202200210 -
NLM
Almeida M de O, Kolb MJ, Lanza MR de V, Illas F, Calle-Vallejo F. Gas-phase errors affect DFT-based electrocatalysis models of oxygen reduction to hydrogen peroxide [Internet]. ChemElectroChem. 2022 ;e202200210 1-7.[citado 2025 dez. 29 ] Available from: https://doi.org/10.1002/celc.202200210 -
Vancouver
Almeida M de O, Kolb MJ, Lanza MR de V, Illas F, Calle-Vallejo F. Gas-phase errors affect DFT-based electrocatalysis models of oxygen reduction to hydrogen peroxide [Internet]. ChemElectroChem. 2022 ;e202200210 1-7.[citado 2025 dez. 29 ] Available from: https://doi.org/10.1002/celc.202200210 - Estudo computacional sobre possíveis mecanismos de degradação de um interferente endócrino (acetocloro)
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Informações sobre o DOI: 10.1002/celc.202200210 (Fonte: oaDOI API)
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