Solvent effect on NMR parameters of Tl(III) complexes by ab initio molecular dynamics and relativistic KS-DFT calculations (2025)
- Authors:
- USP affiliated authors: DUCATI, LUCAS COLUCCI - IQ ; BARBOSA, VINÍCIUS CARNEIRO - ICB
- Unidades: IQ; ICB
- Subjects: TÁLIO; RESSONÂNCIA MAGNÉTICA NUCLEAR
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Publisher: Sociedade Brasileira de Química/SBQ
- Publisher place: São Paulo
- Date published: 2025
- Source:
- Título: Anais
- Conference titles: Reunião Anual da Sociedade Brasileira de Química/RASBQ
-
ABNT
BARBOSA, Vinícius Carneiro e DUCATI, Lucas Colucci. Solvent effect on NMR parameters of Tl(III) complexes by ab initio molecular dynamics and relativistic KS-DFT calculations. 2025, Anais.. São Paulo: Sociedade Brasileira de Química/SBQ, 2025. Disponível em: https://www.sbq.org.br/48ra/anexos/ANAIS-48rasbq.pdf. Acesso em: 15 fev. 2026. -
APA
Barbosa, V. C., & Ducati, L. C. (2025). Solvent effect on NMR parameters of Tl(III) complexes by ab initio molecular dynamics and relativistic KS-DFT calculations. In Anais. São Paulo: Sociedade Brasileira de Química/SBQ. Recuperado de https://www.sbq.org.br/48ra/anexos/ANAIS-48rasbq.pdf -
NLM
Barbosa VC, Ducati LC. Solvent effect on NMR parameters of Tl(III) complexes by ab initio molecular dynamics and relativistic KS-DFT calculations [Internet]. Anais. 2025 ;[citado 2026 fev. 15 ] Available from: https://www.sbq.org.br/48ra/anexos/ANAIS-48rasbq.pdf -
Vancouver
Barbosa VC, Ducati LC. Solvent effect on NMR parameters of Tl(III) complexes by ab initio molecular dynamics and relativistic KS-DFT calculations [Internet]. Anais. 2025 ;[citado 2026 fev. 15 ] Available from: https://www.sbq.org.br/48ra/anexos/ANAIS-48rasbq.pdf - Efeito do solvente no deslocamento químico e constante de acoplamento em complexos de Tl(III) por dinâmica molecular ab initio
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