NMR J-coupling constants of Tl−Pt bonded metal complexes in aqueous solution: ab initio molecular dynamics and localized orbital analysis (2017)
- Authors:
- Autor USP: DUCATI, LUCAS COLUCCI - IQ
- Unidade: IQ
- Subjects: RESSONÂNCIA MAGNÉTICA NUCLEAR; SOLUÇÕES AQUOSAS
- Language: Inglês
- Imprenta:
- Source:
- Título do periódico: Resumos
- Conference titles: Simpósio Brasileiro de Química Teórica/SBQT
-
ABNT
DUCATI, Lucas Colucci e MARCHENKO, Alex e AUTSHCBACH, Jochen. NMR J-coupling constants of Tl−Pt bonded metal complexes in aqueous solution: ab initio molecular dynamics and localized orbital analysis. 2017, Anais.. São Paulo: IF/USP, 2017. . Acesso em: 28 mar. 2024. -
APA
Ducati, L. C., Marchenko, A., & Autshcbach, J. (2017). NMR J-coupling constants of Tl−Pt bonded metal complexes in aqueous solution: ab initio molecular dynamics and localized orbital analysis. In Resumos. São Paulo: IF/USP. -
NLM
Ducati LC, Marchenko A, Autshcbach J. NMR J-coupling constants of Tl−Pt bonded metal complexes in aqueous solution: ab initio molecular dynamics and localized orbital analysis. Resumos. 2017 ;[citado 2024 mar. 28 ] -
Vancouver
Ducati LC, Marchenko A, Autshcbach J. NMR J-coupling constants of Tl−Pt bonded metal complexes in aqueous solution: ab initio molecular dynamics and localized orbital analysis. Resumos. 2017 ;[citado 2024 mar. 28 ] - Density functional calibration for indirect spin-spin coupling constant calculations
- Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding
- Estudo do isomerismo rotacional do captopril
- Revisiting NMR through-space 'J IND. FF' spin-spin coupling constants for getting insight into proximate F---F interactions
- Quadrupolar 14N NMR relaxation from force-field and Ab initio molecular dynamics in different solvents
- Efeito do solvente no deslocamento químico de nitrogênio em azóis via dinâmica molecular ab initio
- A theoretical investigation of the dictating forces in small amino acid conformational preferences: the case of glycine, sarcosine and N,N-dimethylglycine
- A critical evaluation of the s-cis–trans isomerism of 2-acetylpyrrole and its N-methyl derivative through infrared and NMR spectroscopies and theoretical calculations
- `ANTPOT. 1H´ NMR and theoretical studies on the conformational equilibrium of tryptophan methyl ester
- NMR, infrared and theoretical studies on conformational preferences of L-aspartic acid dimethyl ester
How to cite
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas