Performance of new exchange–correlation functionals in providing vertical excitation energies of metal complexes (2021)
- Authors:
- USP affiliated authors: HAIDUKE, ROBERTO LUIZ ANDRADE - IQSC ; MENDES, RODRIGO ARAÚJO - IQSC
- Unidade: IQSC
- DOI: 10.1007/s00214-021-02844-8
- Assunto: METAIS
- Keywords: DFT; TDDFT; Metal complexes; QTP functionals
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Publisher place: Heidelberg
- Date published: 2021
- Source:
- Título do periódico: Theoretical Chemistry Accounts: theory, computation and modeling
- ISSN: 1432-881X
- Volume/Número/Paginação/Ano: p.140-146, 2021
- Este periódico é de assinatura
- Este artigo NÃO é de acesso aberto
- Cor do Acesso Aberto: closed
-
ABNT
MENDES, Rodrigo Araujo e HAIDUKE, Roberto Luiz Andrade. Performance of new exchange–correlation functionals in providing vertical excitation energies of metal complexes. Theoretical Chemistry Accounts: theory, computation and modeling, p. 140-146, 2021Tradução . . Disponível em: https://doi.org/10.1007/s00214-021-02844-8. Acesso em: 19 abr. 2024. -
APA
Mendes, R. A., & Haiduke, R. L. A. (2021). Performance of new exchange–correlation functionals in providing vertical excitation energies of metal complexes. Theoretical Chemistry Accounts: theory, computation and modeling, 140-146. doi:10.1007/s00214-021-02844-8 -
NLM
Mendes RA, Haiduke RLA. Performance of new exchange–correlation functionals in providing vertical excitation energies of metal complexes [Internet]. Theoretical Chemistry Accounts: theory, computation and modeling. 2021 ;140-146.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1007/s00214-021-02844-8 -
Vancouver
Mendes RA, Haiduke RLA. Performance of new exchange–correlation functionals in providing vertical excitation energies of metal complexes [Internet]. Theoretical Chemistry Accounts: theory, computation and modeling. 2021 ;140-146.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1007/s00214-021-02844-8 - The Devil’s Triangle of Kohn–Sham density functional theory and excited states
- An electronic structure investigation of excited state intramolecular proton transfer in amino-benzazole derivatives: Relative energies and electron density descriptors
- All-Solution Processed Single-Layer WOLEDs Using [Pt(salicylidenes)] as Guests in a PFO Matrix
- Electron interactions with hydrogen peroxide (H2O2)
- The Balance between Charge Mobility and Efficiency in All-Solution- Processed Organic Light-Emitting Diodes of Zn(II) Coordination Compounds/PFO Composites
- Exploring ground and low-lying excited states for diquat, paraquat, and dipyridyl isomers
- Synthesis and optical properties of a fluorene-benzothiadiazole anthracene copolymer
- Avaliação de novos funcionais da densidade na determinação de energias de excitação verticais, afinidades protônicas e de ligações de hidrogênio
- Excited state intramolecular proton transfer process in benzazole fluorophores tailored by polymeric matrix: A combined theoretical and experimental study
- The infrared fundamental intensities of some cyanopolyynes
Informações sobre o DOI: 10.1007/s00214-021-02844-8 (Fonte: oaDOI API)
Download do texto completo
| Tipo | Nome | Link | |
|---|---|---|---|
 | P19572.pdf |
How to cite
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
