Comparison of polarizable continuum model and quantum mechanics/molecular mechanics solute electronic polarization: study of the optical and magnetic properties of diazines in water (2011)
- Authors:
- USP affiliated authors: CANUTO, SYLVIO ROBERTO ACCIOLY - IF ; COUTINHO, KALINE RABELO - IF
- Unidade: IF
- DOI: 10.1063/1.3644894
- Assunto: ELETROSTÁTICA
- Language: Inglês
- Imprenta:
- Source:
- Título do periódico: THE JOURNAL OF CHEMICAL PHYSICS
- Volume/Número/Paginação/Ano: v.135, n. 14, p. 144103, out.2011
- Este periódico é de assinatura
- Este artigo NÃO é de acesso aberto
- Cor do Acesso Aberto: closed
-
ABNT
MANZONI, Vinícius et al. Comparison of polarizable continuum model and quantum mechanics/molecular mechanics solute electronic polarization: study of the optical and magnetic properties of diazines in water. THE JOURNAL OF CHEMICAL PHYSICS, v. 135, n. 14, p. 144103, 2011Tradução . . Disponível em: https://doi.org/10.1063/1.3644894. Acesso em: 18 abr. 2024. -
APA
Manzoni, V., Lyra, M. L., Canuto, S., & Coutinho, K. (2011). Comparison of polarizable continuum model and quantum mechanics/molecular mechanics solute electronic polarization: study of the optical and magnetic properties of diazines in water. THE JOURNAL OF CHEMICAL PHYSICS, 135( 14), 144103. doi:10.1063/1.3644894 -
NLM
Manzoni V, Lyra ML, Canuto S, Coutinho K. Comparison of polarizable continuum model and quantum mechanics/molecular mechanics solute electronic polarization: study of the optical and magnetic properties of diazines in water [Internet]. THE JOURNAL OF CHEMICAL PHYSICS. 2011 ;135( 14): 144103.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1063/1.3644894 -
Vancouver
Manzoni V, Lyra ML, Canuto S, Coutinho K. Comparison of polarizable continuum model and quantum mechanics/molecular mechanics solute electronic polarization: study of the optical and magnetic properties of diazines in water [Internet]. THE JOURNAL OF CHEMICAL PHYSICS. 2011 ;135( 14): 144103.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1063/1.3644894 - Analyzing the n->``pi´ POT.*´ electronic transition of formaldehyde in water. a sequential Monte Carlo/time-dependent density functional theory: correction
- 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
- Estudo teórico da interação de íons em solução aquosa
- Theoretical study of the electronic spectra of para-nitroaniline in supercritical water
- The dipole polarization of F-in aqueous solution. a sequential Monte Carlo/quantum mechanics study
- Electronic polarization in liquid acetonitrile: a sequential Monte Carlo/quantum mechanics investigation
- Solvent effects on the UV-visible absorption spectrum of benzophenone in water: a combined Monte Carlo quantum mechanics study including solute polarization
- Isotropi and anisotropic NMR chemical shifts in liquid water: a sequential QM/MM study
- A Monte Carlo-quantum mechanics study of the lowest n-`pi´* and `pi´-`pi´* states of uracil in water
Informações sobre o DOI: 10.1063/1.3644894 (Fonte: oaDOI API)
Download do texto completo
| Tipo | Nome | Link | |
|---|---|---|---|
 | COMPAR~2.PDF | Direct link |
How to cite
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
