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Data do documentoTítuloAutor(es)
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
Out-2011Box–Behnken design for studying inclusion complexes of triglycerides and α-cyclodextrin: application to the heating protocol in molecular-dynamics simulationsAlmeida, Eduardo Walneide C.; Anconi, Cleber P. A.; Novato, Willian Tássio G.; Oliveira, Marcone A. L. de; Almeida, Wagner B. de; Santos, Hélio F. dos
Mar-2021Condensed-phase relative Gibbs free energy and E/Z descriptors for 2-acetylthiophene and 2-acetylthiophene-N1-phenyl thiosemicarbazonesSales, Alice L. R.; Silla, Josué M.; Neto, Jonas L.; Anconi, Cleber P. A.
Abr-2022Coordination of iron (III) to modified silica surface containing pyrazine acid groups and its application in advanced oxidative processesBorges, Willian M. S.; Guerreiro, Mário C.; Anconi, Cleber P. A.; Magalhães, Kassiana T.; Castro, Guilherme M. M.; L. Neto, Jonas; Rossi, Marco A. L. S.
2023Estimating hydroxyl/epoxy ratio in graphene oxide through adsorption experiment and semiempirical GFN2-xTB quantum methodSouza, Larissa. C. A.; Abreu, Regis V. A.; Guerreiro, Mário C.; Oliveira, Juliano E.; Anconi, Cleber P. A.
2010Experimental and theoretical investigation of epoxide quebrachitol derivatives through spectroscopic analysisAlmeida, Mauro V. de; Assis, João Vitor; Couri, Mara Rubia C.; Anconi, Cleber P. A.; Guerreiro, Mário C.; Santos, Hélio F. dos; Almeida, Wagner B. de
16-Jan-2018Formation of β-Cyclodextrin inclusion compound with doxycycline: a theoretical approachPeraro, Cristian R.; Anconi, Amanda C. S. A.; Anconi, Cleber P. A.
Out-2017Host–guest intermolecular hydrogen bonds and stability in aqueous media: the benzaldehyde/β-CD case studyAnconi, Cleber P. A.; Santos, Taináh M. R.; Souza, Amanda C.; Borges, Willian M. S.; Sales, Alice L. R.
Nov-2015Inclusion complex thermodynamics: the β-cyclodextrin and sertraline complex exampleLopes, Juliana Fedoc; Nascimento Júnior, Clebio S.; Anconi, Cleber P. A.; Santos, Hélio F. dos; Almeida, Wagner B. de
17-Abr-2015Inclusion process of tetracycline in β and γ-cyclodextrins: a theoretical investigationCosta, Mércia A. S.; Anconi, Cleber P. A.; Santos, Hélio F. dos; Almeida, Wagner B. de; Nascimento Junior, Clebio S.
Fev-2011Interaction of chemically modified tetracyclines with catalytic Zn(II) ion in matrix metalloproteinase: evidence for metal coordination sitesMarcial, Bruna L.; Costa, Luiz Antônio S.; Almeid, Wagner B. de; Anconi, Cleber P. A.; Santos, Hélio F. dos
2009New insights on chemical oxidation of single-wall carbon nanotubes: a theoretical studySilva Júnior, Antônio M. da; Junqueira, Geórgia M. A.; Anconi, Cleber P. A.; Santos, Hélio F. dos
5-Out-2012Prediction of conformational population of large cycloalkanes using ab initio correlated methods: Cycloundecane, cyclododecane, and cyclotridecaneSantos, Hélio F. dos; Franco, Mauro L.; Venâncio, Mateus F.; Ferreira, Dalva E. C.; Anconi, Cleber P. A.; Rocha, William R.; Almeida, Wagner B. de
16-Jul-2015Stability and spatial arrangement of the 2,4-dichlorophenoxyacetic acid and β-cyclodextrin inclusion compound: a theoretical studyPereira, Robson A.; Anconi, Cleber P. A.; Nascimento Junior, Clebio S.; Almeida, Wagner B. de; Santos, Hélio F. dos
14-Fev-2012Superstructure based on β-CD self-assembly induced by a small guest moleculeSousa, Frederico B. de; Lima, Ana C.; Denadai, Ângelo M. L.; Anconi, Cleber P. A.; Almeida, Wagner B. de; Novato, Willian T. G.; Santos, Hélio F. dos; Drum, Chester L.; Langer, Robert; Sinisterra, Rubén D.
2014Theoretical and experimental study of inclusion complexes formed by isoniazid and modified β-cyclodextrins: 1H NMR structural determination and antibacterial activity evaluationTeixeira, Milena G.; Assis, João V. de; Soares, Cássia G. P.; Venâncio, Mateus F.; Lopes, Juliana F.; Nascimento Junior, Clebio S.; Anconi, Cleber P. A.; Carvalho, Guilherme S. L.; Lourenço, Cristina S.; Almeida, Mauro V. de; Fernandes, Sergio A.; Almeida, Wagner B. de
2016Theoretical inclusion of deprotonated 2,4-D and dicamba pesticides in ß-cyclodextrinPereira, Robson A.; Borges, Willian Miguel da Silva; Peraro, Cristian Rossi; Anconi, Cleber P. A.
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
2017Water solvent effect on theoretical evaluation of 1 H NMR chemical shifts: o methyl-inositol isomerSantos, Helio F. dos; Chagas, Marcelo A.; Souza, Leonardo A. de; Rocha, Willian R.; Almeida, Mauro V. de; Anconi, Cleber P. A.; Almeida, Wagner B. De