Vibrational spectroscopy and aromaticity investigation of squarate salts: A theoretical and experimental approach SL Georgopoulos, R Diniz, MI Yoshida, NL Speziali, HF Dos Santos, ... JOURNAL OF MOLECULAR STRUCTURE 794, 63-70, 2006 | 57 | 2006 |
Aplicação de mecânica molecular em química inorgânica LW Coelho, GMA Junqueira, JOM Herrera, SP Machado, BC Machado Química Nova 22 (3), 396-404, 1999 | 44 | 1999 |
New insights on chemical oxidation of single-wall carbon nanotubes: a theoretical study AM Da Silva Jr, GMA Junqueira, CPA Anconi, HF Dos Santos The Journal of Physical Chemistry C 113 (23), 10079-10084, 2009 | 40 | 2009 |
Theoretical analysis of the oxocarbons: The solvent and counter-ion effects on the structure and spectroscopic properties of the squarate ion GMA Junqueira, WR Rocha, WB De Almeida, HF Dos Santos Physical Chemistry Chemical Physics 5 (3), 437-445, 2003 | 29 | 2003 |
Theoretical analysis of the oxocarbons: structure and spectroscopic properties of croconate ion and its coordination compound with lithium GMA Junqueira, WR Rocha, WB De Almeida, HF Dos Santos Physical Chemistry Chemical Physics 3 (17), 3499-3505, 2001 | 29 | 2001 |
Vibrational spectroscopy for milk fat quantification: line shape analysis of the Raman and infrared spectra TO Mendes, GMA Junqueira, BLS Porto, CD Brito, F Sato, ... Journal of Raman Spectroscopy 47 (6), 692-698, 2016 | 27 | 2016 |
Structural and vibrational study of graphene oxide via coronene based models: theoretical and experimental results JPA Mendonça, AH Lima, GMA Junqueira, WG Quirino, C Legnani, ... Materials Research Express 3 (5), 055020, 2016 | 26 | 2016 |
Theoretical analysis of the oxocarbons: The role played by the solvent and counter-ions in the electronic spectrum of the deltate ion GMA Junqueira, WR Rocha, WB De Almeida, HF Dos Santos Physical Chemistry Chemical Physics 4 (12), 2517-2523, 2002 | 21 | 2002 |
Detection of antibiotic residues in Cow's milk: A theoretical and experimental vibrational study VA Renata C. Teixeira, Leandro C. Luiz, Georgia Maria Amaral Junqueira ... Elsevier 1215, 128221, 2020 | 20* | 2020 |
Extrapolating to the one-electron basis set limit in polarizability calculations GMA Junqueira, AJC Varandas The Journal of Physical Chemistry A 112 (41), 10413-10419, 2008 | 20 | 2008 |
Detection of antibiotic residues in Cow's milk: A theoretical and experimental vibrational study VA Renata C. Teixeira, Leandro C. Luiz, Geórgia M. A. Junqueira, Maria Jose ... | 20* | |
Theoretical study of structure and properties of a molecular reactor based on the urea-linked β-cyclodextrin dimer C Blenke, VJ Da Silva, GMA Junqueira, WB De Almeida, HF Dos Santos Journal of Molecular Structure: THEOCHEM 809 (1-3), 95-102, 2007 | 18 | 2007 |
Theoretical study of oxocarbons: structure and vibrational spectrum of the D6h and C2 forms of the rhodizonate ion GMA Junqueira, WR Rocha, WB De Almeida, HF Dos Santos Journal of Molecular Structure: THEOCHEM 684 (1-3), 141-147, 2004 | 18 | 2004 |
The role of sulfate in the chemical synthesis of graphene oxide JPA de Mendonça, AH Lima, JC Roldao, JS Martins, GMA Junqueira, ... Materials Chemistry and Physics 215, 203-210, 2018 | 16 | 2018 |
Enhancement of Nonlinear Optical Properties of Graphene Oxide-based Structures: Push-Pull Models G Junqueira, JP Mendonça, A Lima, W Quirino, F Sato RSC Advances, 2016, DOI: 10.1039/C6RA18314J, 2016 | 16 | 2016 |
Theoretical study of structure and non-linear optical properties of Zn (II) porphyrin adsorbed on carbon nanotubes LA De Souza, AM Da Silva Jr, GMA Junqueira, ACM Carvalho, ... Journal of Molecular Structure: THEOCHEM 959 (1-3), 92-100, 2010 | 16 | 2010 |
Theoretical analysis of the oxocarbons: the electronic spectrum of the rhodizonate ion GMA Junqueira, WR Rocha, WB De Almeida, HF Dos Santos Journal of Molecular Structure: THEOCHEM 719 (1-3), 31-39, 2005 | 16 | 2005 |
Ab initio calculation of electric properties for the BH, CO, CS and N2 molecules D Paschoal, MF Costa, GMA Junqueira, HF Dos Santos Journal of Molecular Structure: THEOCHEM 913 (1-3), 200-206, 2009 | 15 | 2009 |
Theoretical study of the solvent effect on the aromaticity of benzene: a NICS analysis GMA Junqueira, HFD Santos Journal of molecular modeling 20, 1-8, 2014 | 11 | 2014 |
Exploring the effect of substitutional doping on the electronic properties of graphene oxide EBV Freire, JPA de Mendonça, S Ullah, GMA Junqueira, F Sato Journal of materials science 53, 7516-7526, 2018 | 10 | 2018 |