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Data do documentoTítuloAutor(es)
2010Description of the acid/base behavior of organic phosphines using ab initio and chemometric approachesSantiago, Regis T.; La Porta, Felipe A.; Rocha, Marcus V. J.; Ramalho, Teodorico C.; Freitas, Matheus P.; Cunha, Elaine F. F. da
Set-2012(1) H NMR analysis of O-methyl-inositol isomers: a joint experimental and theoretical studyAlmeida, Mauro V. de; Couri, Mara Rubia C.; Assis, João Vitor de; Anconi, Cleber P. A.; Santos, Hélio F. dos; Almeida, Wagner B. de
Mai-2010Modelling the visible absorption spectra of copper(II) acetylacetonate by Density Functional TheoryAlmeida, K. J. de; Cesar, A.; Rinkevicius, Z.; Vahtras, O.; Ågren, Hans
16-Fev-2021A simple and efficient method for simultaneous quantification of levodopa and carbidopa based on controlled oxidation processAndrade, Ângela L.; Cardoso, Thaís D.; Thomasi, Sérgio S.; Alvarenga, Meiry E.; Silva, Mirra A. N. da; Magalhães, Elisângela J.; Duarte, Hélio A.; Almeida, Katia J. de
15-Mar-2018Structural analysis of two tetraketones and theoretical investigation of the reactions involved in their preparationSilva, Milene Lopes da; Teixeira, Róbson Ricardo; Santos, Lucas de Azevedo; Martins, Felipe Terra; Ramalho, Teodorico Castro
2020Iron and molybdenum mixed oxide supported on Al-PILC for the catalytic oxidative desulfurization of dibenzothiophene in simulated diesel fuelTireli, Aline Auxiliadora; Guimarães, Iara do Rosário; Castro, Guilherme Mello Mattos de; Gonçalves, Mateus Aquino; Ramalho, Teodorico de Castro; Guerreiro, Mário Cesar
Abr-2017Conformational analysis and vibrational spectroscopic studies of tetraethoxysilane and its hydrolysis products: a DFT predictionMachado, E. S.; Silva, D. A.; Almeida, K. J.de; Felicíssimo, V. C.
1-Ago-2011Theoretical study of spectroscopic properties of insulated molecular wires formed by substituted oligothiophenes and cross-linked α-cyclodextrinVenâncio, Mateus F.; Nascimento Júnior, Clebio S.; Anconi, Cleber P. A.; Lopes, Juliana Fedoce; Rocha, William R.; Santos, Hélio F. dos; Almeida, Wagner B. de
2013A new complex of Palladium(II) with 2-furoic hydrazide: synthesis, characterization, theoretical calculations and biological studiesSouza, Gustavo Duarte de; Rodrigues, Mônica Aparecida; Silva, Priscila Pereira; Pereira-Maia, Elene Cristina; Botelho, Françoise Vasconcelos; Campos, Tatiana Amabile de; Franca, Eduardo de Faria; Almeida, Katia Júlia de; Guerra, Wendell
Fev-2011Theoretical study of specific solvent effects on the optical and magnetic properties of copper(II) acetylacetonateAlmeida, K. J. de; Ramalho, T. C.; Rinkevicius, Z.; Vahtras, O.; Ågren, H.; Cesar, A.