A computational Study of Junctions between Niobium and Titanium oxides (2019)
- Authors:
- USP affiliated authors: HAIDUKE, ROBERTO LUIZ ANDRADE - IQSC ; STEFFLER, FERNANDO - IQSC
- Unidade: IQSC
- Assunto: QUÍMICA TEÓRICA
- Keywords: Metal oxide; Rutile; Junction metal oxide
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Publisher: Universidade Federal da Paraiba
- Publisher place: João Pessoa
- Date published: 2019
- Source:
- Título: Livro de Resumo
- Conference titles: Simpósio Brasileiro de Química Teórica - SBQT
-
ABNT
STEFFLER, Fernando e HAIDUKE, Roberto Luiz Andrade. A computational Study of Junctions between Niobium and Titanium oxides. 2019, Anais.. João Pessoa: Universidade Federal da Paraiba, 2019. Disponível em: https://repositorio.usp.br/directbitstream/c7146f78-ed9e-4d0a-a81f-88da923901a8/P18743.pdf. Acesso em: 21 jan. 2026. -
APA
Steffler, F., & Haiduke, R. L. A. (2019). A computational Study of Junctions between Niobium and Titanium oxides. In Livro de Resumo. João Pessoa: Universidade Federal da Paraiba. Recuperado de https://repositorio.usp.br/directbitstream/c7146f78-ed9e-4d0a-a81f-88da923901a8/P18743.pdf -
NLM
Steffler F, Haiduke RLA. A computational Study of Junctions between Niobium and Titanium oxides [Internet]. Livro de Resumo. 2019 ;[citado 2026 jan. 21 ] Available from: https://repositorio.usp.br/directbitstream/c7146f78-ed9e-4d0a-a81f-88da923901a8/P18743.pdf -
Vancouver
Steffler F, Haiduke RLA. A computational Study of Junctions between Niobium and Titanium oxides [Internet]. Livro de Resumo. 2019 ;[citado 2026 jan. 21 ] Available from: https://repositorio.usp.br/directbitstream/c7146f78-ed9e-4d0a-a81f-88da923901a8/P18743.pdf - Investigating the electronic excitations in Polyoxoniobates: (Nb6O19)8−, (Nb10O28)6− and (XNb12O40)Y with (X=As, P, Si, Ge) and (Y=15- and 16-)
- Successive protonation of Decaniobate, [ Nb10O28]6−: electronic properties and spectra
- Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8: electronic properties and structural distortions
- Non-empirical exchange-correlation parameterizations based on exact conditions from correlated orbital theory
- Difluorodiazirine (CF2N2): a quantum mechanical study of the electron density and of the electrostatic potential in the ground and excited electronic states
- Atomic charge and atomic dipole fluxes during stretching displacements in small molecules
- Avaliação e reparametrização de funcionais híbridos para determinação de momentos de quadruplo nucleares
- Theoretical kinetic study of large species in the isomerization reaction HCnN→HCn−1NC (n = 7, 9 and 11)
- Termocromismo em soluções de alcóxidos de vanádio(IV): uma abordagem pela modelagem molecular
- Quantum theory of atoms in molecules: charge-charge flux-dipole flux models for fundamental vibrational intensity changes on H-bond formation of water and hydrogen fluoride
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