Simulation of charge-transfer, UV-VIS and resonance Raman spectra of push–pull systems: a TDDFT and CASPT2 comparison (2022)
- Authors:
- USP affiliated authors: BORIN, ANTONIO CARLOS - IQ ; ANDO, RÔMULO AUGUSTO - IQ ; ARAUJO, ADALBERTO VASCONCELOS SANCHES DE - IQ ; MARQUES, LEANDRO RAMOS - IQ
- Unidade: IQ
- DOI: 10.1039/d2cp04401c
- Subjects: ESPECTROSCOPIA RAMAN; DINÂMICA
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Título: Physical Chemistry Chemical Physics
- ISSN: 1463-9076
- Volume/Número/Paginação/Ano: v. 24, n. 46, p. 28522-28529, 2022
- Este periódico é de acesso aberto
- Este artigo NÃO é de acesso aberto
-
ABNT
ARAÚJO, Adalberto Vasconcelos Sanches de et al. Simulation of charge-transfer, UV-VIS and resonance Raman spectra of push–pull systems: a TDDFT and CASPT2 comparison. Physical Chemistry Chemical Physics, v. 24, n. 46, p. 28522-28529, 2022Tradução . . Disponível em: https://doi.org/10.1039/d2cp04401c. Acesso em: 13 fev. 2026. -
APA
Araújo, A. V. S. de, Marques, L. R., Borin, A. C., & Ando, R. A. (2022). Simulation of charge-transfer, UV-VIS and resonance Raman spectra of push–pull systems: a TDDFT and CASPT2 comparison. Physical Chemistry Chemical Physics, 24( 46), 28522-28529. doi:10.1039/d2cp04401c -
NLM
Araújo AVS de, Marques LR, Borin AC, Ando RA. Simulation of charge-transfer, UV-VIS and resonance Raman spectra of push–pull systems: a TDDFT and CASPT2 comparison [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24( 46): 28522-28529.[citado 2026 fev. 13 ] Available from: https://doi.org/10.1039/d2cp04401c -
Vancouver
Araújo AVS de, Marques LR, Borin AC, Ando RA. Simulation of charge-transfer, UV-VIS and resonance Raman spectra of push–pull systems: a TDDFT and CASPT2 comparison [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24( 46): 28522-28529.[citado 2026 fev. 13 ] Available from: https://doi.org/10.1039/d2cp04401c - Probing charge-transfer pathways in disperse orange 3 and its ions with resonance raman spectroscopy and multiconfigurational calculations
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Informações sobre o DOI: 10.1039/d2cp04401c (Fonte: oaDOI API)
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