Tips on active space construction in multiconfigurational calculations: a case study (2015)
- Authors:
- Autor USP: BORIN, ANTONIO CARLOS - IQ
- Unidade: IQ
- DOI: 10.5935/0100-4042.20150054
- Subjects: ORBITAL MOLECULAR; FOTOQUÍMICA
- Language: Português
- Imprenta:
- Source:
- Título: Química Nova
- ISSN: 0100-4042
- Volume/Número/Paginação/Ano: v. 38, n. 5, p. 738-748, 2015
- Este periódico é de acesso aberto
- Este artigo NÃO é de acesso aberto
-
ABNT
BORIN, Antonio Carlos e ARAÚJO, Adalberto Vasconcelos Sanches de. Tips on active space construction in multiconfigurational calculations: a case study. Química Nova, v. 38, n. 5, p. 738-748, 2015Tradução . . Disponível em: https://doi.org/10.5935/0100-4042.20150054. Acesso em: 25 jan. 2026. -
APA
Borin, A. C., & Araújo, A. V. S. de. (2015). Tips on active space construction in multiconfigurational calculations: a case study. Química Nova, 38( 5), 738-748. doi:10.5935/0100-4042.20150054 -
NLM
Borin AC, Araújo AVS de. Tips on active space construction in multiconfigurational calculations: a case study [Internet]. Química Nova. 2015 ; 38( 5): 738-748.[citado 2026 jan. 25 ] Available from: https://doi.org/10.5935/0100-4042.20150054 -
Vancouver
Borin AC, Araújo AVS de. Tips on active space construction in multiconfigurational calculations: a case study [Internet]. Química Nova. 2015 ; 38( 5): 738-748.[citado 2026 jan. 25 ] Available from: https://doi.org/10.5935/0100-4042.20150054 - On the relaxation mechanisms of 6-azauracil
- A theoretical study of the emission spectra of indole and its analogs: indene, benzimidazole, and 7-azaindole
- Complete active space self-consistent field and multireference configuration interaction analysis of the 'SI'n b 'ANTPOT.2 SIGMA POT.+' - X 'ANTPOT.2 SIGMA POT.+' Transition moment
- The ground and lowest-lying electronic states of Re2
- Electronic structure and chemical bonding in 'W IND. 2' molecule
- A theoretical study of the copper-cysteine bond in blue copper proteins
- Low-lying singlet and triplet electronic states of RhB
- Solvatochromic shift of the 'pi''seta''pi''POT. AST.' transition in all-trans, Cis-13, Cis-11, Cis-9, and Cis-7 retinal isomers induced by water and methanol
- Adenine and 2-aminopurine: paradigms of modern theoretical photochemistry
- On the deactivation mechanisms of adenine–thymine base pair
Informações sobre o DOI: 10.5935/0100-4042.20150054 (Fonte: oaDOI API)
How to cite
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
