A sequential MC/TD-DFT study of the solvatochromic shift of the pyridinium-N-phenoxide betaine dye in water using standard and long-range corrected functionals (2011)
- Authors:
- USP affiliated authors: CANUTO, SYLVIO ROBERTO ACCIOLY - IF ; COUTINHO, KALINE RABELO - IF
- Unidade: IF
- DOI: 10.1016/j.cplett.2011.08.056
- Assunto: MÉTODO DE MONTE CARLO
- Language: Inglês
- Imprenta:
- Source:
- Título do periódico: CHEMICAL PHYSICS LETTERS
- Volume/Número/Paginação/Ano: v.514, n.4-6, p. 251-256, out.2011
- Este periódico é de assinatura
- Este artigo é de acesso aberto
- URL de acesso aberto
- Cor do Acesso Aberto: hybrid
- Licença: implied-oa
-
ABNT
OLIVEIRA, Leonardo B A; FONSECA, Tertius L; CANUTO, Sylvio; COUTINHO, Kaline. A sequential MC/TD-DFT study of the solvatochromic shift of the pyridinium-N-phenoxide betaine dye in water using standard and long-range corrected functionals. CHEMICAL PHYSICS LETTERS, Amsterdam, v. 514, n. 4-6, p. 251-256, 2011. Disponível em: < http://www.sciencedirect.com/science?_ob=MiamiImageURL&_cid=271350&_user=5674931&_pii=S0009261411010372&_check=y&_origin=search&_zone=rslt_list_item&_coverDate=2011-10-06&wchp=dGLbVBA-zSkzk&md5=1cf9be166ae8f100efd2f193ba2f9f1a/1-s2.0-S0009261411010372-main.pdf > DOI: 10.1016/j.cplett.2011.08.056. -
APA
Oliveira, L. B. A., Fonseca, T. L., Canuto, S., & Coutinho, K. (2011). A sequential MC/TD-DFT study of the solvatochromic shift of the pyridinium-N-phenoxide betaine dye in water using standard and long-range corrected functionals. CHEMICAL PHYSICS LETTERS, 514( 4-6), 251-256. doi:10.1016/j.cplett.2011.08.056 -
NLM
Oliveira LBA, Fonseca TL, Canuto S, Coutinho K. A sequential MC/TD-DFT study of the solvatochromic shift of the pyridinium-N-phenoxide betaine dye in water using standard and long-range corrected functionals [Internet]. CHEMICAL PHYSICS LETTERS. 2011 ;514( 4-6): 251-256.Available from: http://www.sciencedirect.com/science?_ob=MiamiImageURL&_cid=271350&_user=5674931&_pii=S0009261411010372&_check=y&_origin=search&_zone=rslt_list_item&_coverDate=2011-10-06&wchp=dGLbVBA-zSkzk&md5=1cf9be166ae8f100efd2f193ba2f9f1a/1-s2.0-S0009261411010372-main.pdf -
Vancouver
Oliveira LBA, Fonseca TL, Canuto S, Coutinho K. A sequential MC/TD-DFT study of the solvatochromic shift of the pyridinium-N-phenoxide betaine dye in water using standard and long-range corrected functionals [Internet]. CHEMICAL PHYSICS LETTERS. 2011 ;514( 4-6): 251-256.Available from: http://www.sciencedirect.com/science?_ob=MiamiImageURL&_cid=271350&_user=5674931&_pii=S0009261411010372&_check=y&_origin=search&_zone=rslt_list_item&_coverDate=2011-10-06&wchp=dGLbVBA-zSkzk&md5=1cf9be166ae8f100efd2f193ba2f9f1a/1-s2.0-S0009261411010372-main.pdf - Electronic polarization in liquid acetonitrile: a sequential Monte Carlo/quantum mechanics investigation
- The dipole polarization of F-in aqueous solution. a sequential Monte Carlo/quantum mechanics study
- Isotropi and anisotropic NMR chemical shifts in liquid water: a sequential QM/MM study
- Solvent effects on the UV-visible absorption spectrum of benzophenone in water: a combined Monte Carlo quantum mechanics study including solute polarization
- Electronic properties of liquid ammonia: a sequential molecular dynamics/quantum mechanics approach
- The isotropic nuclear magnetic shielding constants of acetone in supercritical water: a sequential Monte Carlo/quantum mechanics study including solute polarization
- The relative stability of the two isomers of "AlP IND.3"
- Mecanismos de reação e equilíbrio tautomético da 2-mercaptopirimidina em fase gasosa e em solução
- Theoretical study of the electronic spectra of para-nitroaniline in supercritical water
- Theoretical study of the absorption and nonradiative deactivation of 1-nitronaphthalene in the low-lying singlet and triplet excited states including methanol and ethanol solvent effects
Informações sobre o DOI: 10.1016/j.cplett.2011.08.056 (Fonte: oaDOI API)
How to cite
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
