Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods (2019)
- Authors:
- USP affiliated authors: COUTINHO, KALINE RABELO - IF ; CANUTO, SYLVIO ROBERTO ACCIOLY - IF ; CEZAR, HENRIQUE MUSSELI - IF
- Unidade: IF
- DOI: 10.1002/qua.25688
- Subjects: NANOTECNOLOGIA; MODELAGEM MOLECULAR
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Publisher place: New Jersey
- Date published: 2019
- Source:
- Título: International Journal of Quantum Chemistry
- ISSN: 1097-461X
- Volume/Número/Paginação/Ano: v. 119, n. 1, January 5, 2019, e25688
- Este periódico é de assinatura
- Este artigo NÃO é de acesso aberto
- Cor do Acesso Aberto: closed
-
ABNT
CEZAR, Henrique Musseli e COUTINHO, Kaline Rabelo e CANUTO, Sylvio Roberto Accioly. Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods. International Journal of Quantum Chemistry, v. 119, n. 1, 2019Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/qua.25688. Acesso em: 30 dez. 2025. -
APA
Cezar, H. M., Coutinho, K. R., & Canuto, S. R. A. (2019). Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods. International Journal of Quantum Chemistry, 119( 1). doi:10.1002/qua.25688 -
NLM
Cezar HM, Coutinho KR, Canuto SRA. Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods [Internet]. International Journal of Quantum Chemistry. 2019 ; 119( 1):[citado 2025 dez. 30 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/qua.25688 -
Vancouver
Cezar HM, Coutinho KR, Canuto SRA. Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods [Internet]. International Journal of Quantum Chemistry. 2019 ; 119( 1):[citado 2025 dez. 30 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/qua.25688 - Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities
- DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method
- A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution
- Efeito do solvente na estrutura molecular: acoplamento eletrostático no método QM/MM seqüencial
- Isomerization effects on absorption spectrum of derivatives of retinal in solution
- Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion
- Electronic spectroscopy of biomolecules in solution: fluorescein dianion in water
- A sequential Monte Carlo quantum mechanics calculations of trans-resveratrol in aqueous solution
- Solvent influence in the ultra-violet visible absorption spectra of pyrazine derivative: a monte Carlo / quantum mechanics sequential treatment
- Acrolein in water: The contributon of hydrogen bond and solvation shells to the...
Informações sobre o DOI: 10.1002/qua.25688 (Fonte: oaDOI API)
Download do texto completo
| Tipo | Nome | Link | |
|---|---|---|---|
| qua.25688.pdf |
How to cite
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
