Theoretical insights on the unexpected lability of Ru(III)(phtpy)Cl3: ligand-metal interactions through the lenses of DFT and TD-DFT (2024)
- Authors:
- USP affiliated authors: ARAKI, KOITI - IQ ; BRAGA, ATAUALPA ALBERT CARMO - IQ ; RANDOLLI, LUCAS GONÇALVES - IQ ; MIZUMOTO, THIAGO MINEO - IQ ; DUARTE, LEONARDO JOSÉ - IQ
- Unidade: IQ
- Subjects: RUTÊNIO; CATÁLISE
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Publisher: Universidade Federal de Minas Gerais/UFMG
- Publisher place: Belo Horizonte
- Date published: 2024
- Source:
- Título: Proceedings
- Conference titles: Brazilian Meeting on Inorganic Chemistry/BMIC
-
ABNT
RANDOLLI, Lucas Gonçalves et al. Theoretical insights on the unexpected lability of Ru(III)(phtpy)Cl3: ligand-metal interactions through the lenses of DFT and TD-DFT. 2024, Anais.. Belo Horizonte: Universidade Federal de Minas Gerais/UFMG, 2024. Disponível em: https://bmic2024.qui.ufmg.br/. Acesso em: 27 dez. 2025. -
APA
Randolli, L. G., Mizumoto, T. M., Duarte, L. J., Araki, K., & Braga, A. A. C. (2024). Theoretical insights on the unexpected lability of Ru(III)(phtpy)Cl3: ligand-metal interactions through the lenses of DFT and TD-DFT. In Proceedings. Belo Horizonte: Universidade Federal de Minas Gerais/UFMG. Recuperado de https://bmic2024.qui.ufmg.br/ -
NLM
Randolli LG, Mizumoto TM, Duarte LJ, Araki K, Braga AAC. Theoretical insights on the unexpected lability of Ru(III)(phtpy)Cl3: ligand-metal interactions through the lenses of DFT and TD-DFT [Internet]. Proceedings. 2024 ;[citado 2025 dez. 27 ] Available from: https://bmic2024.qui.ufmg.br/ -
Vancouver
Randolli LG, Mizumoto TM, Duarte LJ, Araki K, Braga AAC. Theoretical insights on the unexpected lability of Ru(III)(phtpy)Cl3: ligand-metal interactions through the lenses of DFT and TD-DFT [Internet]. Proceedings. 2024 ;[citado 2025 dez. 27 ] Available from: https://bmic2024.qui.ufmg.br/ - Dissecting methanol adsorption on H-ZSM-5: a multiscale exploration using QM/QM
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