Výsledky vyhledávání - "Paulo F. B. Gonçalves"

Correction: Dipolar vinyl sulfur fluorescent dyes. Synthesis and photophysics of sulfide, sulfoxide and sulfone based D–π–A compounds

Autor: Matias Monçalves, Gabriel M. Zanotto, Josene M. Toldo, Daniel S. Rampon, Paulo H. Schneider, Paulo F. B. Gonçalves, Fabiano S. Rodembusch, Claudio C. Silveira

Publikováno v: RSC Advances. 8:5372-5372

Correction for ‘Dipolar vinyl sulfur fluorescent dyes. Synthesis and photophysics of sulfide, sulfoxide and sulfone based D–π–A compounds’ by Matias Monçalves et al., RSC Adv., 2017, 7, 8832–8842.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::32839753ffebc989329def229a917a3e
https://doi.org/10.1039/c8ra90006j

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Free energy of solvation from molecular dynamics simulations for low dielectric solvents

Autor: Paulo F B, Gonçalves, Hubert, Stassen

Publikováno v: Journal of computational chemistry. 24(14)

Using molecular dynamics simulation, we present new results for the free energy of solvation for solvents with low dielectric constants (CCl(4), CHCl(3), benzene). The solvation free energy is computed as the sum of three contributions originated at

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::13e3bd912bb4c241e343148c53afb91f
https://pubmed.ncbi.nlm.nih.gov/12964194

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New approach to free energy of solvation applying continuum models to molecular dynamics simulation

Autor: Paulo F B, Gonçalves, Hubert, Stassen

Publikováno v: Journal of computational chemistry. 23(7)

A new approach to the calculation of the free energy of solvation from trajectories obtained by molecular dynamics simulation is presented. The free energy of solvation is computed as the sum of three contributions originated at the cavitation of the

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::24ae2b55f95b7e40e687f6d845df63e8
https://pubmed.ncbi.nlm.nih.gov/11948588

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Akademický článek

Implications of flexible spacer rotational processes on the liquid crystal behavior of 4,5-dihydroisoxazole benzoate dimersElectronic supplementary information (ESI) available: Experimental procedure, 1H and 13C NMR spectrum and spectroscopic data final compounds, modeling pictures of the rotamers. See DOI: 10.1039/c5nj02199e

Autor: Aline Tavares, Josene M. Toldo, Guilherme D. Vilela, Paulo F. B. Gonçalves, Ivan H. Bechtold, Stuart P. Kitney, Stephen M. Kelly, Aloir A. Merlo

Publikováno v: New Journal of Chemistry; 2016, Vol. 40 Issue 1, p393-401, 9p

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Akademický článek

Novel selenoesters fluorescent liquid crystalline exhibiting a rich phase polymorphismElectronic Supplementary Information (ESI) available: Details 1H and 13C NMR spectra, DSC, POM microscopy. See DOI: 10.1039/b917366h/.

Autor: Daniel S. Rampon, Fabiano S. Rodembusch, Juliana M. F. M. Schneider, Ivan H. Bechtold, Paulo F. B. Gonçalves, Aloir A. Merlo, Paulo H. Schneider

Publikováno v: Journal of Materials Chemistry; Jan2010, Vol. 20 Issue 4, p715-722, 8p

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