Bond analysis in meta- and para-substituted thiophenols: overlap descriptors, local mode analysis, and QTAIM
Barbosa, Willis G., Santos-Jr, Carlos V., Andrade, Railton B., Lucena Jr, Juracy R., Moura Jr, Renaldo T.
Published in Journal of molecular modeling (01.05.2024)
Published in Journal of molecular modeling (01.05.2024)
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Journal Article
(INVITED) JOYSpectra: A web platform for luminescence of lanthanides
Moura Jr, Renaldo T., Carneiro Neto, Albano N., Aguiar, Eduardo C., Santos-Jr, Carlos V., de Lima, Ewerton M., Faustino, Wagner M., Teotonio, Ercules E.S., Brito, Hermi F., Felinto, Maria C.F.C., Ferreira, Rute A.S., Carlos, Luís D., Longo, Ricardo L., Malta, Oscar L.
Published in Optical materials. X (01.08.2021)
Published in Optical materials. X (01.08.2021)
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Journal Article
Featuring a new computational protocol for the estimation of intensity and overall quantum yield in lanthanide chelates with applications to Eu(III) mercapto-triazole Schiff base ligands
Moura, Renaldo T., Quintano, Mateus, Santos-Jr, Carlos V., Albuquerque, Vinícius A.C.A., Aguiar, Eduardo C., Kraka, Elfi, Carneiro Neto, Albano N.
Published in Optical materials. X (01.10.2022)
Published in Optical materials. X (01.10.2022)
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Journal Article
Analysis of spectator chemical bonds in SN2@C and @Si reaction mechanisms in the gas phase
Santos-Jr, Carlos V., A. F. de Souza, Miguel, Kraka, Elfi, Moura Jr, Renaldo T.
Published in Chemical physics letters (01.01.2022)
Published in Chemical physics letters (01.01.2022)
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Journal Article