Spectroscopic properties of vitamin E models in solution LBA Oliveira, G Colherinhas, TL Fonseca, MA Castro Chemical Physics Letters 628, 49-53, 2015 | 24 | 2015 |
Elucidating NH2-I3V3A3G3K3-COOH and NH2-K3G3A3V3I3-COOH polypeptide membranes: A classical molecular dynamics study D Andrade, LBA Oliveira, G Colherinhas Journal of Molecular Liquids 279, 740-749, 2019 | 23 | 2019 |
Understanding the Stability of Polypeptide Membranes in Ionic Liquid: A Theoretical Molecular Dynamics Study ED Alves, LBA Oliveira, G Colherinhas New Journal of Chemistry, 2019 | 21 | 2019 |
Stability and Structural Analysis of A6R Polypeptide Nanosheets: A Theoretical Study Using the Classical Molecular Dynamics Simulation B Proença, LBA Oliveira, G Colherinhas The Journal of Physical Chemistry C, 2018 | 21 | 2018 |
Hydration effects on the electronic properties of eumelanin building blocks LB Assis Oliveira, T L. Fonseca, BJ Costa Cabral, K Coutinho, S Canuto The Journal of chemical physics 145 (8), 084501, 2016 | 20 | 2016 |
A sequential MC/TD-DFT study of the solvatochromic shift of the pyridinium-N-phenoxide betaine dye in water using standard and long-range corrected functionals LBA Oliveira, TL Fonseca, K Coutinho, S Canuto Chemical Physics Letters 514 (4-6), 251-256, 2011 | 20 | 2011 |
GIAO DFT isotropic magnetic shielding constants and spin spin coupling of tartaric acid in water solution B Fideles, LBA Oliveira, G Colherinhas Chemical Physics Letters 644, 205-211, 2016 | 18 | 2016 |
On the calculation of magnetic properties of nucleic acids in liquid water with the sequential QM/MM method G Colherinhas, LBA Oliveira, MA Castro, TL Fonseca, K Coutinho, ... Journal of Molecular Liquids 294, 111611, 2019 | 15 | 2019 |
The influence of flexibility on the spectroscopic properties for organic molecules in solution: A theoretical study applied to A3R polypeptide LBA Oliveira, RC Prado, LA Júnior, G Colherinhas Journal of Molecular Liquids 263, 334-341, 2018 | 15 | 2018 |
TD-DFT and GIAO-NMR spectroscopy studies for maltose and (α-and β)-glucose in water solution using S-MC/QM polarization methodology LBA Oliveira, G Colherinhas Journal of Molecular Liquids 237, 295-303, 2017 | 15 | 2017 |
Solvent Effects on the Spectroscopic Properties of Damascone Derivatives: A Sequential Monte Carlo/Quantum Mechanics Study AR de Almeida, LBA Oliveira, G Colherinhas Chemical Physics Letters, 2019 | 13 | 2019 |
Spectroscopic properties and solute-solvent structural analyses for ANR polypeptides in water solution: A Sequential Monte Carlo/Quantum Mechanics (S-MC/QM) theoretical study RC Prado, G Colherinhas, LBA Oliveira New Journal of Chemistry, 2018 | 7 | 2018 |
Solvent effects on the electrical and magnetic spectroscopic properties of azo-enaminone derivatives in methanol and in water LBA Oliveira, AL Junior, G Colherinhas New Journal of Chemistry, 2018 | 6 | 2018 |
Espectro de Absorção da Orto-betaína em Água: um Estudo Teórico usando o Método Seqüencial Monte Carlo/Mecânica Quântica LBA OLIVEIRA Universidade Federal de Goiás, 2009 | 1 | 2009 |
Propriedades estruturais e espectroscópicas de modelos de vitamina E e de constituintes da eumelanina em água e em mistura de solventes LBA Oliveira Universidade Federal de Goiás, 2015 | | 2015 |
Structural and spectroscopic properties of ortho-betaine in water: a theoretical study using a sequential MC/QM methodology LBA Oliveira, K Coutinho, S Canuto, TL Fonseca Resumo, 2011 | | 2011 |
I Encontro de Fısica do Centro-Oeste M Carlo, M Quântica, LBA Oliveira, TL Fonseca, K Coutinho, S Canuto | | |