| Protonation/deprotonation process of Emodin in aqueous solution and pKa determination: UV/Visible spectrophotometric titration and quantum/molecular mechanics calculations AR da Cunha, EL Duarte, MT Lamy, K Coutinho Chemical Physics 440, 69-79, 2014 | 50 | 2014 |
| Solvent effects on Stokes shifts, and NLO response of thieno [3, 4-b] pyrazine: A comprehensive QM/MM investigation V Manzoni, R Gester, AR da Cunha, T Andrade-Filho, R Gester Journal of Molecular Liquids 335, 115996, 2021 | 19 | 2021 |
| Critical properties of the SIS model dynamics on the Apollonian network LF Da Silva, RN Costa Filho, AR Cunha, A Macedo-Filho, M Serva, ... Journal of Statistical Mechanics: Theory and Experiment 2013 (05), P05003, 2013 | 14 | 2013 |
| Solvent enhancement and isomeric effects on the NLO properties of a photoinduced cis-trans azomethine chromophore: A sequential MC/QM study A Raiol, AR da Cunha, V Manzoni, T Andrade-Filho, R Gester Journal of Molecular Liquids 340, 116887, 2021 | 12 | 2021 |
| Experimental and theoretical spectroscopic characterization, NLO response, and reactivity of the pharmacological agent spilanthol and analogues A Raiol, M Pinheiro, E Belo, AR da Cunha, AMR Marinho, SYS Silva, ... Journal of Molecular Structure 1227, 129423, 2021 | 9 | 2021 |
| Theoretical study of thieno [3, 4-b] pyrazine derivatives with enhanced NLO response R Gester, A Torres, AR da Cunha, T Andrade-Filho, V Manzoni Chemical Physics Letters 781, 138976, 2021 | 8 | 2021 |
| Experimental and theoretical studies of emodin interacting with a lipid bilayer of DMPC AR da Cunha, EL Duarte, H Stassen, MT Lamy, K Coutinho Biophysical Reviews 9, 729-745, 2017 | 8 | 2017 |
| Insights and modelling on the nonlinear optical response, reactivity, and structure of chalcones and dihydrochalcones T Andrade-Filho, T Silva, E Belo, A Raiol, RVS de Oliveira, PSB Marinho, ... Journal of Molecular Structure 1246, 131182, 2021 | 7 | 2021 |
| The Importance of the Density Functional Theory Exchange–Correlation Hartree–Fock Term in Magnetic Resonance: Application to an Aqueous Environment PF Provasi, L Modesto-Costa, F Sampaio, T Silva, AR da Cunha, ... The Journal of Physical Chemistry A 127 (3), 619-626, 2023 | 4 | 2023 |
| A DFT analysis of electronic, reactivity, and NLO responses of a reactive orange dye: the role of Hartree-Fock exchange corrections S Fonseca, L Santos, R Pereira, L Modesto-Costa, AR da Cunha, ... Journal of Molecular Modeling 28 (4), 85, 2022 | 4 | 2022 |
| Solvent polarity effects on thermochemical and NMR parameters of spilanthol pharmacological agent: an experimental and DFT investigation M Pinheiro, AR da Cunha, AMR Marinho, SYS Silva, T Andrade-Filho, ... Structural Chemistry 31, 2281-2292, 2020 | 4 | 2020 |
| Estudos teóricos de propriedades estruturais e eletrônicas da molécula emodina em solução AR da Cunha Instituto de Física da USP, 2009 | 4 | 2009 |
| The solute polarization and structural effects on the nonlinear optical response of based chromone molecules S Fonseca, NSS Dos Santos, AR da Cunha, S Canuto, PF Provasi, ... ChemPhysChem 24 (12), e202300060, 2023 | 3 | 2023 |
| Understanding the Stokes shift and nonlinear optical behavior of 1-nitro-2-phenylethane: A sequential Monte Carlo/Quantum Mechanics discussion FF Almeida, L Modesto-Costa, AR Da Cunha, DA Santos, ... Chemical Physics Letters 804, 139867, 2022 | 3 | 2022 |
| Insights on the crossing of the two lowest n-π∗ and π-π∗ absorption lines of thieno [3, 4-b] pyrazine in an aqueous environment A Gonçalves, A Raiol, AR da Cunha, V Manzoni, T Andrade-Filho, ... Chemical Physics Letters 768, 138366, 2021 | 2 | 2021 |
| Designing a novel organometallic chalcone with an enormous second-harmonic generation response S Fonseca, L Modesto-Costa, E Milán-Garcés, T Andrade-Filho, R Gester, ... Materials Today Communications 31, 103762, 2022 | 1 | 2022 |
| New insights into the interaction of emodin with lipid membranes AR da Cunha, EL Duarte, GSV Muniz, K Coutinho, MT Lamy Biophysical Chemistry, 107233, 2024 | | 2024 |
| Role of the Solvent and Intramolecular Hydrogen Bonds in the Antioxidative Mechanism of Prenylisoflavone from Leaves of Vatairea guianensis S Fonseca, NSS Dos Santos, A Torres, M Siqueira, A da Cunha, ... The Journal of Physical Chemistry A 127 (51), 10807-10816, 2023 | | 2023 |
| Nonlinear optical response of α-terpinolene and β-phellandrene chromophores: An octupolar gas-to-solvent enhancement able to retain light conduction NSS dos Santos, S Fonseca, A Moura, AR da Cunha, PF Provasi, ... Optik 291, 171199, 2023 | | 2023 |
| Spectroscopic characterization of different protonation/deprotonation states of Barbaloin in aqueous solution FL Matos, EL Duarte, GSV Muniz, EA Milán-Garcés, K Coutinho, MT Lamy, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 286, 122020, 2023 | | 2023 |
Rodrigo GesterUniversidade Federal do Sul e Sudeste do ParáVerified email at unifesspa.edu.br
