Paulo Fernando Gonçalves
Paulo Fernando Gonçalves
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Insights on recyclable catalytic system composed of task-specific ionic liquids for the chemical fixation of carbon dioxide
AL Girard, N Simon, M Zanatta, S Marmitt, P Gonçalves, J Dupont
Green Chemistry 16 (5), 2815-2825, 2014
Novel selenoesters fluorescent liquid crystalline exhibiting a rich phase polymorphism
DS Rampon, FS Rodembusch, JMFM Schneider, IH Bechtold, ...
Journal of Materials Chemistry 20 (4), 715-722, 2010
Calculation of the free energy of solvation from molecular dynamics simulations
PFB Gonçalves, H Stassen
Pure and applied chemistry 76 (1), 231-240, 2004
Self-assembly and structural characterization of Echinococcus granulosus antigen B recombinant subunit oligomers
KM Monteiro, SMN Scapin, MVAS Navarro, NIT Zanchin, MB Cardoso, ...
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1774 (2), 278-285, 2007
Synthesis, characterization, and spectroscopic investigation of benzoxazole conjugated Schiff bases
FS Santos, TMH Costa, V Stefani, PFB Goncalves, RR Descalzo, ...
The Journal of Physical Chemistry A 115 (46), 13390-13398, 2011
A DFT study on the insertion of CO2 into styrene oxide catalyzed by 1‐butyl‐3‐methyl‐Imidazolium bromide ionic liquid
S Marmitt, PFB Goncalves
Journal of Computational Chemistry 36 (17), 1322-1333, 2015
Bis-arylsulfenyl-and bis-arylselanyl-benzo-2, 1, 3-thiadiazoles: synthesis and photophysical characterization
RA Balaguez, VG Ricordi, RC Duarte, JM Toldo, CM Santos, ...
RSC advances 6 (55), 49613-49624, 2016
An evaluation of the chalcogen atom effect on the mesomorphic and electronic properties in a new homologous series of chalcogeno esters
DS Rampon, FS Rodembusch, PFB Gonçalves, RV Lourega, AA Merlo, ...
Journal of the Brazilian Chemical Society 21 (11), 2100-2107, 2010
Evidence for excited state intramolecular charge transfer in benzazole-based pseudo-stilbenes.
SF Santos, RR Descalzo, PF Gonçalves, EV Benvenutti, FS Rodembusch
Physical chemistry chemical physics: PCCP 14 (31), 10994-11001, 2012
3-Arylisoxazolyl-5-carboxylic acid and 5-(Hydroxymethyl)-3-aryl-2-isoxazoline as molecular platforms for liquid-crystalline materials
A Tavares, PR Livotto, PFB Gonçalves, AA Merlo
Journal of the Brazilian Chemical Society 20 (9), 1742-1752, 2009
New approach to free energy of solvation applying continuum models to molecular dynamics simulation
PFB Gonçalves, H Stassen
Journal of computational chemistry 23 (7), 706-714, 2002
Semi-empirical study of a set of 2-(2′-hydroxyphenyl) benzazoles using the polarizable continuum model
RS Iglesias, PFB Goncalves, PR Livotto
Chemical Physics Letters 327 (1-2), 23-28, 2000
Optimization of molecular cavities in the PCM of neutral molecules using charge dependent atomic radii: applications to the semi-empirical AM1 and MNDO/PM3 methods
PFB Gonçalves, PR Livotto
Chemical physics letters 304 (5-6), 438-444, 1999
Investigating the intersystem crossing rate and triplet quantum yield of Protoporphyrin IX by means of pulse train fluorescence technique
F Gotardo, LHZ Cocca, TV Acunha, A Longoni, J Toldo, PFB Gonçalves, ...
Chemical Physics Letters 674, 48-57, 2017
Free energy of solvation from molecular dynamics simulations for low dielectric solvents
PFB Gonçalves, H Stassen
Journal of computational chemistry 24 (14), 1758-1765, 2003
Low pH optical sensor based on benzothiazole azo dyes
FL Coelho, C de Ávila Braga, GM Zanotto, ES Gil, LF Campo, ...
Sensors and Actuators B: Chemical 259, 514-525, 2018
Synthesis of amino acid-derived 1, 2, 3-triazoles: development of a nontrivial fluorescent sensor in solution for the enantioselective sensing of a carbohydrate and bovine …
NP Debia, MT Saraiva, BS Martins, R Beal, PFB Gonçalves, ...
The Journal of organic chemistry 83 (3), 1348-1357, 2018
Free energy of solvation from molecular dynamics simulation applying Voronoi-Delaunay triangulation to the cavity creation
PFB Goncalves, H Stassen
The Journal of chemical physics 123 (21), 214109, 2005
Photophysical characterisation of Tröger's base molecular scaffolds: a combined theoretical and experimental study
DMP Aroche, JM Toldo, RR Descalzo, PFB Gonçalves, FS Rodembusch
New Journal of Chemistry 39 (9), 6987-6996, 2015
Computational study of anion solvation in nitrobenzene
ES Böes, J de Andrade, H Stassen, PFB Gonçalves
Chemical physics letters 436 (4-6), 362-367, 2007
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