Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen (2019)
- Authors:
- Autor USP: OLIVEIRA FILHO, ANTONIO GUSTAVO SAMPAIO DE - FFCLRP
- Unidade: FFCLRP
- DOI: 10.1063/1.5111547
- Subjects: ALGORITMOS; COMPUTAÇÃO GRÁFICA; ORBITAL MOLECULAR
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Título do periódico: The Journal of Chemical Physics
- ISSN: 0021-9606
- Volume/Número/Paginação/Ano: v. 151, n. 10, art. 104311, 2019
- Este periódico é de assinatura
- Este artigo é de acesso aberto
- URL de acesso aberto
- Cor do Acesso Aberto: green
- Licença: other-oa
-
ABNT
SHU, Yinan et al. Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen. The Journal of Chemical Physics, v. 151, n. 10, 2019Tradução . . Disponível em: https://doi.org/10.1063/1.5111547. Acesso em: 31 maio 2024. -
APA
Shu, Y., Kryven, J., Oliveira Filho, A. G. S. de, Zhang, L., Song, G. -L., Li, S. L., et al. (2019). Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen. The Journal of Chemical Physics, 151( 10). doi:10.1063/1.5111547 -
NLM
Shu Y, Kryven J, Oliveira Filho AGS de, Zhang L, Song G-L, Li SL, Meana-Pañeda R, Fu B, Bowman JM, Truhlar DG. Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen [Internet]. The Journal of Chemical Physics. 2019 ; 151( 10):[citado 2024 maio 31 ] Available from: https://doi.org/10.1063/1.5111547 -
Vancouver
Shu Y, Kryven J, Oliveira Filho AGS de, Zhang L, Song G-L, Li SL, Meana-Pañeda R, Fu B, Bowman JM, Truhlar DG. Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen [Internet]. The Journal of Chemical Physics. 2019 ; 151( 10):[citado 2024 maio 31 ] Available from: https://doi.org/10.1063/1.5111547 - Preface
- Protocol for optically pumping AlH+ to a pure quantum state
- Semiclassical trajectory studies of reactive and nonreactive scattering of OH (A2 Σ+) by H2 based on an improved full‐dimensional Ab initio diabatic potential energy matrix
- Estudo teórico da reação O(´ANTIPOT.3P´P) + HBr: superfícies de energia potencial, cinética e dinâmica
- Permutationally restrained diabatization by machine intelligence
- Introdução às redes neurais para regressões não-lineares: ajuste de superfícies de energia potencial
- Canonical unified statistical rate constants using a high-level composite coupled cluster energy scheme for the CH4 + CH reaction
- How to arrive at accurate benchmark values for transition metal compounds: computation or experiment?
- Ab initio characterization of the lowest-lying electronic states of the NaAs molecule
- Precisely spun super rotors
Informações sobre o DOI: 10.1063/1.5111547 (Fonte: oaDOI API)
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