| Study of the optical and magnetic properties of pyrimidine in water combining PCM and QM/MM methodologies V Manzoni, ML Lyra, RM Gester, K Coutinho, S Canuto Physical Chemistry Chemical Physics 12 (42), 14023-14033, 2010 | 58 | 2010 |
| Strong enhancement of NLO response of methyl orange dyes through solvent effects: A sequential Monte Carlo/DFT investigation V Manzoni, L Modesto-Costa, J Del Nero, T Andrade-Filho, R Gester Optical Materials 94, 152-159, 2019 | 42 | 2019 |
| Theoretical study of a recently synthesized azo dyes useful for OLEDs R Gester, A Torres, C Bistafa, RS Araújo, TA da Silva, V Manzoni Materials Letters 280, 128535, 2020 | 32 | 2020 |
| Comparison of polarizable continuum model and quantum mechanics/molecular mechanics solute electronic polarization: Study of the optical and magnetic properties of diazines in … V Manzoni, ML Lyra, K Coutinho, S Canuto The Journal of chemical physics 135 (14), 2011 | 29 | 2011 |
| Giant values obtained for first hyperpolarizabilities of methyl orange: a DFT investigation ÂCM Pimenta, T Andrade-Filho, V Manzoni, J Del Nero, R Gester Theoretical Chemistry Accounts 138, 1-6, 2019 | 26 | 2019 |
| The quantum biophysics of the isoniazid adduct NADH binding to its InhA reductase target TC da Silva Ribeiro, RF da Costa, EM Bezerra, VN Freire, ML Lyra, ... New Journal of Chemistry 38 (7), 2946-2957, 2014 | 23 | 2014 |
| Exploring the binding mechanism of GABAB receptor agonists and antagonists through in silico simulations JX Lima Neto, K Bezerra, E Barbosa, JIN Oliveira, V Manzoni, ... Journal of Chemical Information and Modeling 60 (2), 1005-1018, 2020 | 20 | 2020 |
| Outlining migrainous through dihydroergotamine–serotonin receptor interactions using quantum biochemistry JXL Neto, VP Soares-Rachetti, EL Albuquerque, V Manzoni, UL Fulco New Journal of Chemistry 42 (4), 2401-2412, 2018 | 20 | 2018 |
| 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 |
| An insightful approach for understanding solvatochromic reversal V Manzoni, K Coutinho, S Canuto Chemical Physics Letters 655, 30–34, 2016 | 19 | 2016 |
| Correlation and complexity analysis of well logs via Lyapunov, Hurst, Lempel–Ziv and neural network algorithms RB Ferreira, VM Vieira, I Gleria, ML Lyra Physica A: Statistical Mechanics and its Applications 388 (5), 747-754, 2009 | 17 | 2009 |
| A theoretical study of the magnetic shielding of 15N of formamide in liquid water R Gester, MVA Damasceno, S Canuto, V Manzoni Journal of Molecular Liquids 320 (Part A), 114415, 2020 | 13 | 2020 |
| Solvent enhancement and isomeric effects on the NLO properties of a photoinduced cis-trans azomethine chromophore: A sequential MC/QM analysis A RAIOL, AR da CUNHA, V Manzoni, T ANDRADE-FILHO, RM GESTER Journal of Molelcular Liquids 340, 116887, 2021 | 12 | 2021 |
| Thermal and solvatochromic effects on the emission properties of a thienyl-based dansyl derivative WM Pazin, AKA Almeida, V Manzoni, JMM Dias, ACF De Abreu, ... RSC advances 10 (48), 28484-28491, 2020 | 12 | 2020 |
| The role of electrostatic interactions and solvent polarity on the 15 N NMR shielding of azines L Modesto-Costa, RM Gester, V Manzoni Chemical Physics Letters 686, 189-194, 2017 | 12 | 2017 |
| Unveiling the relationship between structural and polarization effects on the first hyperpolarizability of a merocyanine dye Y Siqueira, ML Lyra, TN Ramos, B Champagne, V Manzoni The Journal of Chemical Physics 156, 014305, 2022 | 8 | 2022 |
| Theoretical study of thieno[3,4-b]pyrazine derivatives with enhanced NLO response R Gester, AlbertoTorres, AR da Cunha, T Andrade-Filho, V Manzoni Chemical Physics Letters 781, 138976, 2021 | 8 | 2021 |
| Adsorption study of 4-nitrophenol onto kaolinite (001) surface: A van der Waals density functional study E SANTANA, RD POSSA, ALF NOVAIS, V Manzoni, ERP NOVAIS, ... Materials Chemistry and Physics 271, 124887, 2021 | 8 | 2021 |
| Observation and Analysis of Incoherent Second-Harmonic Generation in Gold Nanoclusters with Six Atoms R Barbosa-Silva, ML da Silva-Neto, D Bain, L Modesto-Costa, ... The Journal of Physical Chemistry C 124 (28), 15440–15447, 2020 | 7 | 2020 |
| Solvent effects on low-lying absorptions and vibrational spectra of thieno[3,4-b]pyrazines: the role of unconventional C–H···N bonds MVA Damasceno, V Manzoni, L Modesto-Costa, GM Moura, J Del Nero, ... Chemical Papers 73, 1519-1527, 2019 | 7 | 2019 |
Rodrigo GesterUniversidade Federal do Sul e Sudeste do ParáVerified email at unifesspa.edu.br
