Search Results - "A. Mendes, Rodrigo"

Beyond Explored Functionals: A Computational Journey of Two-Photon Absorption by Elayan, Ismael A., Rib, Laura, A. Mendes, Rodrigo, Brown, Alex

“…We present a thorough investigation into the efficacy of 19 density functional theory (DFT) functionals, relative to RI-CC2 results, for computing two-photon…”
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Electronic and magnetic properties of the [Ni(salophen)]: An experimental and DFT study by Mendes, Rodrigo A., Germino, José Carlos, Fazolo, Bruno R., Thaines, Ericson H.N.S., Ferraro, Franklin, Santana, Anderson M., Ramos, Romildo J., de Souza, Gabriel L.C., Freitas, Renato G., Vazquez, Pedro A.M., Barboza, Cristina A.

“…[Display omitted] The effect of the coordination of a Ni(II) ion on the electronic and magnetic properties of the ligand salophen were experimentally and…”
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The role of a simple and effective salicylidene derivative. Spectral broadening and performance improvement of PFO-based all-solution processed OLEDs by Duarte, Luís Gustavo T.A., Germino, José Carlos, Mendes, Rodrigo A., Berbigier, Jônatas F., Faleiros, Marcelo M., Rodembusch, Fabiano S., Atvars, Teresa D.Z.

“…A new salicylidene derivative, the N,N′-bis(salicylidene)-(2-(3′,4′-diaminophenyl)benzothiazole (BTS), which exhibits an Excited State Intramolecular Proton…”
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Synthesis and optical properties of a fluorene-benzothiadiazole anthracene copolymer by de Morais, Andreia, Duarte, Luiz Gustavo T.A., Turchetti, Denis A., Mendes, Rodrigo A., de Freitas, Jilian N., Atvars, Teresa D.Z., Cristovan, Fernando H., Domingues, Raquel A.

“…A novel green-emitting terpolymer of Poly[2,7-(9,9-dihexylfluorene)-co-4,7-(2,1,3-benzothiadiazole)-co-9,10-(anthracene)] (PFABT), containing…”
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A computational investigation on the antioxidant potential of myricetin 3,4′-di-O-α-L-rhamnopyranoside by Mendes, Rodrigo A., Almeida, Shawan K. C., Soares, Iuri N., Barboza, Cristina A., Freitas, Renato G., Brown, Alex, de Souza, Gabriel L. C.

“…In this work, we present a computational study on the antioxidant potential of myricetin 3,4 ′ -di- O - α - L -rhamnopyranoside (Compound M). A density…”
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Probing the antioxidant potential of phloretin and phlorizin through a computational investigation by Mendes, Rodrigo A., e Silva, Bruno L. S., Takeara, Renata, Freitas, Renato G., Brown, Alex, de Souza, Gabriel L. C.

“…The structures and energetics of two dihydrochalcones (phloretin and its glycoside phlorizin) were examined with density functional theory, using the B3LYP,…”
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Evaluation of the antioxidant potential of myricetin 3-O-α-L-rhamnopyranoside and myricetin 4′-O-α-L-rhamnopyranoside through a computational study by Mendes, Rodrigo A., Almeida, Shawan K. C., Soares, Iuri N., Barboza, Cristina A., Freitas, Renato G., Brown, Alex, de Souza, Gabriel L. C.

“…In this work, we present a computational study on the antioxidant potential of myricetin 3- O - α - L -rhamnopyranoside (Compound M3) and myricetin 4 ′ - O - α…”
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Unveiling the mutual ion-storage mechanism of dual-carbon NaTFSI-WiSE Cells: A molecular dynamics study by Mendes, Rodrigo A., Dias, Luis G., Da Silva, Juarez L.F., Siqueira, Leonardo J.A.

“…The application of sodium cation in electrochemical devices has been considered an alternative technology for energy storage applications. Water-in-salt…”
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Exploring ground and low-lying excited states for diquat, paraquat, and dipyridyl isomers by Mendes, Rodrigo A., de Freitas, Renato G., Brown, Alex, de Souza, Gabriel L.C.

“…In this work, we present a computational investigation on diquat, paraquat, and six dipyridyl isomers (2,2′-dipyridyl, 2,3′-dipyridyl, 2,4′-dipyridyl,…”
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Sodium-ion electrolytes based on poly-ethylene oxide oligomers in dual-carbon cells: Anion size drives the charging behavior by Mendes, Rodrigo A., Dias, Luis G., Da Silva, Juarez L.F., Siqueira, Leonardo J.A.

“…Sodium-ion dual-carbon electrochemical cells are an environmentally friendly technology for energy storage purposes. In such systems, the migration of mutual…”
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