Dynamic Effects Dictate the Mechanism and Selectivity of Dehydration-Rearrangement Reactions of Protonated Alcohols [Me2(R)CCH(OH2)Me]+ (R=Me, Et, iPr) in the Gas Phase
de Souza , Miguel A. F., Ventura, Elizete, Monte, Silmar A. do, Riveros , José M., Longo, Ricardo L.
Published in Chemistry : a European journal (13.10.2014)
Published in Chemistry : a European journal (13.10.2014)
Get full text
Journal Article
Computational and experimental assessment of efficient dye adsorption method from aqueous effluents by halloysite and palygorskite clay minerals
Câmara, Anne B. F., Silva, Mariana R. L., de Longe, Clenildo, Moura, Heloise O. M. A., Silva, Sérgio R. B., de Souza, Miguel A. F., Rodríguez-Castellón, Enrique, de Carvalho, Luciene S.
Published in Environmental science and pollution research international (01.09.2024)
Published in Environmental science and pollution research international (01.09.2024)
Get full text
Journal Article
Theoretical and Experimental Investigation of Acidity of the Glutamate Receptor Antagonist 6,7-Dinitro-1,4-dihydroquinoxaline-2,3-dione and Its Possible Implication in GluA2 Binding
de Freitas, Gutto R. S, Coelho, Sara E, Monteiro, Norberto K. V, Neri, Jannyely Moreira, Cavalcanti, Lívia Nunes, Domingos, Josiel B, Vieira, Davi S, de Souza, Miguel A. F, Menezes, Fabrício G
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.10.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.10.2017)
Get full text
Journal Article
Revisiting the concept of the (a)synchronicity of diels-alder reactions based on the dynamics of quasiclassical trajectories
de Souza, Miguel A. F., Ventura, Elizete, do Monte, Silmar A., Riveros, José M., Longo, Ricardo L.
Published in Journal of computational chemistry (30.03.2016)
Published in Journal of computational chemistry (30.03.2016)
Get full text
Journal Article
Assessment of density-functionals for describing the X(-) + CH3ONO2 gas-phase reactions with X = F, OH, CH2CN
Proenza, Yaicel G, de Souza, Miguel A F, Ventura, Elizete, do Monte, Silmar A, Longo, Ricardo L
Published in Physical chemistry chemical physics : PCCP (28.12.2014)
Published in Physical chemistry chemical physics : PCCP (28.12.2014)
Get full text
Journal Article
CASSCF and multireference CI with singles and doubles study of low-lying valence and Rydberg states of 2H-tetrazole
de Souza, Miguel A.F, Ventura, Elizete, Araújo, Regiane C.M.U, Ramos, Mozart N, do Monte, Silmar A
Published in Journal of computational chemistry (01.05.2009)
Published in Journal of computational chemistry (01.05.2009)
Get full text
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)
Get full text
Journal Article
Experimental and theoretical study of the photochemical properties and acidochromism of nonconventional 2,4,6-triarylpyridine-based materials
Medeiros, José V.S., Padilha, Ana P.T., da Silva, Kayky A., de Oliveira, André H., da Silva, Vitor F., Araújo, Renata M., Balaban, Rosangela C., Cristiano, Rodrigo, de Souza, Miguel A.F., Menezes, Fabrício G.
Published in Dyes and pigments (01.11.2024)
Published in Dyes and pigments (01.11.2024)
Get full text
Journal Article
Non-symmetrical three and two-core ring mesogens based on quinoxaline and benzimidazole derivatives: Supramolecular layers through amphoteric donating/accepting H-bonds
de Oliveira, André H., Silva, Welisson P., da Silva, Jordan K., Freitas, Júlio.C.O., de Souza, Miguel A.F., Cristiano, Rodrigo, Menezes, Fabrício G.
Published in Journal of molecular structure (15.03.2019)
Published in Journal of molecular structure (15.03.2019)
Get full text
Journal Article
One-pot synthesis and structural elucidation of polyfunctionalized quinoxalines and their use as chromogenic chemosensors for ionic species
da Silva, Lilian C., Lindner, Alexandra, Cavalcanti, Lívia N., da Costa, Erivaldo P., Azevedo, Mireia M., Araújo, Renata M., de Freitas, Gutto R.S., de Souza, Miguel A.F., Machado, Vanderlei G., Menezes, Fabrício G.
Published in Journal of molecular structure (05.11.2019)
Published in Journal of molecular structure (05.11.2019)
Get full text
Journal Article
Ascorbic acid-based quinoxaline derivative as a chromogenic chemosensor for Cu2
da Silva, Lilian C., da Costa, Erivaldo P., Freitas, Gutto R.S., de Souza, Miguel A.F., Araújo, Renata M., Machado, Vanderlei G., Menezes, Fabrício G.
Published in Inorganic chemistry communications (01.08.2016)
Published in Inorganic chemistry communications (01.08.2016)
Get full text
Journal Article
Assessment of density-functionals for describing the X− + CH3ONO2 gas-phase reactions with X = F, OH, CH2CNElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp03674c
Proenza, Yaicel G, de Souza, Miguel A. F, Ventura, Elizete, do Monte, Silmar A, Longo, Ricardo L
Year of Publication 19.11.2014
Year of Publication 19.11.2014
Get full text
Journal Article
Assessment of density-functionals for describing the X − + CH 3 ONO 2 gas-phase reactions with X = F, OH, CH 2 CN
Proenza, Yaicel G., de Souza, Miguel A. F., Ventura, Elizete, do Monte, Silmar A., Longo, Ricardo L.
Published in Physical chemistry chemical physics : PCCP (2014)
Published in Physical chemistry chemical physics : PCCP (2014)
Get full text
Journal Article