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List of works by Paulo Fernando Bruno Gonçalves

A DFT study on the insertion of CO2 into styrene oxide catalyzed by 1-butyl-3-methyl-Imidazolium bromide ionic liquid

scientific article published on 15 May 2015

A three-state model for the photo-Fries rearrangement.

scientific article published on 12 July 2017

CASPT2, CASSCF and non-adiabatic molecular dynamics (NAMD) studies on the low-lying electronic states of 1H-1,2,3-triazole photolysis

scientific article published on 01 November 2019

Evidence for excited state intramolecular charge transfer in benzazole-based pseudo-stilbenes.

scientific article published on 10 July 2012

Experimental and theoretical investigation of long-wavelength fluorescence emission in push-pull benzazoles: intramolecular proton transfer or charge transfer in the excited state?

scientific article published on 01 February 2019

Free energy of solvation from molecular dynamics simulation applying Voronoi-Delaunay triangulation to the cavity creation.

scientific article published in December 2005

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

scientific article published in November 2003

Intramolecular Hydroamination of Selenoalkynes to 2-Selenylindoles in the Absence of Catalyst

scientific article published on 20 May 2019

Lophine and pyrimidine based photoactive molecular hybrids. Synthesis, photophysics, BSA interaction and DFT study

Photocatalytic Reverse Semi-Combustion Driven by Ionic Liquids

scientific article published on 13 February 2019

Proton transfer in fluorescent secondary amines: synthesis, photophysics, theoretical calculation and preparation of photoactive phosphatidylcholine-based liposomes

scientific article published on 01 May 2019

Proton-Transfer-Based Azides with Fluorescence Off-On Response for Detection of Hydrogen Sulfide: An Experimental, Theoretical, and Bioimaging Study

scientific article published on 05 December 2018

Quercetin and 3-O-methylquercetin in vitro skin layers permeation/retention from hydrogels: why only a methoxy group difference determines different behaviors?

scientific article published on 03 December 2018

Self-assembly and structural characterization of Echinococcus granulosus antigen B recombinant subunit oligomers

scientific article published on 17 November 2006

Synthesis of amino acid-derived 1,2,3-triazoles: development of a non-trivial fluorescent sensor in solution for the enantioselective sensing of a carbohydrate and BSA interaction.

scientific article published on 9 January 2018

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