Exploring methane activation and conversion via computational chemistry and Data Science approaches (2024)
- Authors:
- USP affiliated authors: SILVA, JUAREZ LOPES FERREIRA DA - IQSC ; ANDRIANI, KARLA FURTADO - IQSC ; SOUSA, PRISCILLA FELÍCIO - IQSC ; PERAÇA, CARINA DE SOUZA TEIXEIRA - IQSC ; MORAES, PEDRO IVO RODRIGUES - IQSC
- Unidade: IQSC
- Subjects: METANO; QUÍMICA ORGÂNICA
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Publisher place: Florianópolis
- Date published: 2024
- Source:
- Título: Abstract Book
- Conference titles: Latin American Conference on Physical Organic Chemistry - CLAFQO
-
ABNT
ANDRIANI, Karla Furtado et al. Exploring methane activation and conversion via computational chemistry and Data Science approaches. 2024, Anais.. Florianópolis: Instituto de Química de São Carlos, Universidade de São Paulo, 2024. Disponível em: https://www.even3.com.br/clafqo16/. Acesso em: 27 dez. 2025. -
APA
Andriani, K. F., Felício-Sousa, P., Peraça, C. de S. T., Moraes, P. I. R., & Silva, J. L. F. da. (2024). Exploring methane activation and conversion via computational chemistry and Data Science approaches. In Abstract Book. Florianópolis: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://www.even3.com.br/clafqo16/ -
NLM
Andriani KF, Felício-Sousa P, Peraça C de ST, Moraes PIR, Silva JLF da. Exploring methane activation and conversion via computational chemistry and Data Science approaches [Internet]. Abstract Book. 2024 ;[citado 2025 dez. 27 ] Available from: https://www.even3.com.br/clafqo16/ -
Vancouver
Andriani KF, Felício-Sousa P, Peraça C de ST, Moraes PIR, Silva JLF da. Exploring methane activation and conversion via computational chemistry and Data Science approaches [Internet]. Abstract Book. 2024 ;[citado 2025 dez. 27 ] Available from: https://www.even3.com.br/clafqo16/ - Single-atom catalysts on ceria substrates: Exploring cluster and surface effects on methane activation
- Exploring the adsorption properties of small molecules on CeZr-Based nanoclusters
- A DFT Investigation of CH4 Activation and Dehydrogenation on Ceria Clusters
- 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
- Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)10 Cluster
- Theoretical Insights into Methane Activation on Transition-Metal Single-Atom Catalysts Supported on the CeO2(111) Surface
- The quantum-size effects on the first dehydrogenation of CH4 on 3d TMn (TM = Fe, Co, Ni, Cu where n = 4 - 15) clusters: DFT combined with data mining
- Mechanistic insights into the direct partial oxidation of methane to methanol catalyzed by single-atom transition metals on hydroxyapatite
- Effects of dopants on the structural, electronic, and energetic properties of (ZrO2)16 clusters
- Aggregation-induced emission luminogen and its interaction with metal halide perovskite
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