Methane dehydrogenation on 3d 13-atoms transition metal clusters: A DFT investigation (2019)
- Authors:
- USP affiliated authors: SILVA, JUAREZ LOPES FERREIRA DA - IQSC ; ANDRIANI, KARLA FURTADO - IQSC ; MUCELINI, JOHNATAN - IQSC
- Unidade: IQSC
- Subjects: QUÍMICA; CATALISADORES; CLUSTERS
- Keywords: Methane; DFT
- Language: Inglês
- Imprenta:
- Publisher: IQSC
- Publisher place: São Carlos
- Date published: 2019
- Source:
- Título: Workshop
- Conference titles: Workshop de Pós-Doutorado do IQSC
-
ABNT
ANDRIANI, Karla Furtado e MUCELINI, Johnatan e SILVA, Juarez Lopes Ferreira da. Methane dehydrogenation on 3d 13-atoms transition metal clusters: A DFT investigation. 2019, Anais.. São Carlos: IQSC, 2019. Disponível em: https://repositorio.usp.br/directbitstream/c1612c6a-5db3-480f-9ae1-569bb2415f6d/P18439.pdf. Acesso em: 27 dez. 2025. -
APA
Andriani, K. F., Mucelini, J., & Silva, J. L. F. da. (2019). Methane dehydrogenation on 3d 13-atoms transition metal clusters: A DFT investigation. In Workshop. São Carlos: IQSC. Recuperado de https://repositorio.usp.br/directbitstream/c1612c6a-5db3-480f-9ae1-569bb2415f6d/P18439.pdf -
NLM
Andriani KF, Mucelini J, Silva JLF da. Methane dehydrogenation on 3d 13-atoms transition metal clusters: A DFT investigation [Internet]. Workshop. 2019 ;[citado 2025 dez. 27 ] Available from: https://repositorio.usp.br/directbitstream/c1612c6a-5db3-480f-9ae1-569bb2415f6d/P18439.pdf -
Vancouver
Andriani KF, Mucelini J, Silva JLF da. Methane dehydrogenation on 3d 13-atoms transition metal clusters: A DFT investigation [Internet]. Workshop. 2019 ;[citado 2025 dez. 27 ] Available from: https://repositorio.usp.br/directbitstream/c1612c6a-5db3-480f-9ae1-569bb2415f6d/P18439.pdf - Methane dehydrogenation on 3d 13-atom transition-metal clusters: A density functional theory investigation combined with Spearman rank correlation analysis
- A DFT Investigation of CH4 Activation and Dehydrogenation on Ceria Clusters
- Aggregation-induced emission luminogen and its interaction with metal halide perovskite
- Correlation-based framework for extraction of insights from quantum chemistry databases: Applications for nanoclusters
- Interpretando dados de química quântica através de descritores AtoMF e métodos de relações quantitativas estrutura-atividade
- Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters
- Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset
- A DFT investigation of 8-atom MnZn8-n binary clusters
- Role of quantum-size effects in the dehydrogenation of CH4 on 3d TMn clusters: DFT calculations combined with data mining
- Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters
Download do texto completo
| Tipo | Nome | Link | |
|---|---|---|---|
 |
P18439.pdf |
How to cite
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
