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Rodrigo Do Monte Gester

Observed names: Gester, Rodrigo, R. Gester, R. M. Gester, R.M. Gester, R. M. Gester, Rodrigo Gester, Rodrigo M. Gester, Rodrigo do Monte Gester
Observed institutions: Consejo Nacional de Investigaciones Científicas y Técnicas, Universidade de São Paulo, Universidad de Buenos Aires, National University of the Northeast, Universidade Federal do Sul e Sudeste do Pará, Universidade Federal do Pará, Universidade Federal de Goiás
ORCID: 0000-0001-6110-424X
Observed ORCID: 0000-0001-6110-424X
OpenAlex ID: A5005889568
Study of the optical and magnetic properties of pyrimidine in water combining PCM and QM/MM methodologies
2010 · Vinícius Manzoni, Marcelo L. Lyra, et al. · Physical Chemistry Chemical Physics · 58
Strong enhancement of NLO response of methyl orange dyes through solvent effects: A sequential Monte Carlo/DFT investigation
2019 · Vinícius Manzoni, Lucas Modesto-Costa, et al. · Optical Materials · 53
Theoretical study of a recently synthesized azo dyes useful for OLEDs
2020 · Rodrigo Gester, Alberto Torres, et al. · Materials Letters · 46
Solvent effects on Stokes shifts, and NLO response of thieno[3,4-b]pyrazine: A comprehensive QM/MM investigation
2021 · Vinícius Manzoni, Rogerio Gester, et al. · Journal of Molecular Liquids · 39
Giant values obtained for first hyperpolarizabilities of methyl orange: a DFT investigation
2019 · Ângela C. M. Pimenta, T. Andrade-Filho, et al. · Theoretical Chemistry Accounts · 34
NMR Chemical Shielding and Spin−Spin Coupling Constants of Liquid NH3: A Systematic Investigation using the Sequential QM/MM Method
2009 · Rodrigo M. Gester, Herbert C. Georg, et al. · The Journal of Physical Chemistry A · 34
Solvent enhancement and isomeric effects on the NLO properties of a photoinduced cis-trans azomethine chromophore: A sequential MC/QM study
2021 · Antonio Raiol, Antonio R. da Cunha, et al. · Journal of Molecular Liquids · 25
Transient charging and discharging of spin-polarized electrons in a quantum dot
2007 · F. M. Souza, S. A. Leão, et al. · Physical Review B · 22
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Theoretically describing the 17O magnetic shielding constant of biomolecular systems: uracil and 5-fluorouracil in water environment
2013 · Rodrigo M. Gester, Carlos Bistafa, et al. · Theoretical Chemistry Accounts · 21
A simple analysis of the influence of the solvent-induced electronic polarization on the 15N magnetic shielding of pyridine in water
2012 · Rodrigo M. Gester, Herbert C. Georg, et al. · Theoretical Chemistry Accounts · 21
Experimental and theoretical spectroscopic characterization, NLO response, and reactivity of the pharmacological agent spilanthol and analogues
2020 · Antonio Raiol, Mayra Pinheiro, et al. · Journal of Molecular Structure · 19
Insights and modelling on the nonlinear optical response, reactivity, and structure of chalcones and dihydrochalcones
2021 · Tarciso Andrade-Filho, Tércio Silva, et al. · Journal of Molecular Structure · 16
Adsorption study of 4-nitrophenol onto kaolinite (001) surface: A van der Waals density functional study
2021 · E. Santana, R.D. Possa, et al. · Materials Chemistry and Physics · 15
Theoretical study of thieno[3,4-b]pyrazine derivatives with enhanced NLO response
2021 · Rodrigo Gester, Alberto Torres, et al. · Chemical Physics Letters · 14
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Theoretical and experimental study of a new antioxidant xanthone: Solvent and intramolecular hydrogen bond effects
2024 · N.S.S. dos Santos, H.B. Barbieri, et al. · Journal of Molecular Liquids · 13
A DFT analysis of electronic, reactivity, and NLO responses of a reactive orange dye: the role of Hartree-Fock exchange corrections
2022 · Sávio Fonseca, Lucas Santos, et al. · Journal of Molecular Modeling · 13
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The role of electrostatic interactions and solvent polarity on the 15N NMR shielding of azines
2017 · Lucas Modesto-Costa, Rodrigo M. Gester, et al. · Chemical Physics Letters · 13
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Modulation of the NLO properties of p-coumaric acid by the solvent effects and proton dissociation
2023 · Marcus V.A. Damasceno, Antônio R. Cunha, et al. · Journal of Molecular Liquids · 12
Encapsulation ability of silicon carbide and boron nitride nanotubes for spilanthol molecule
2020 · A. M. Rodrigues, A. R. Palheta-Júnior, et al. · Journal of nanostructure in chemistry · 12
A theoretical study of the magnetic shielding of 15N of formamide in liquid water
2020 · Rodrigo Gester, Marcus V.A. Damasceno, et al. · Journal of Molecular Liquids · 12
Isomeric effects tuning the electron transport in carotenoid derivatives: from ohmic to rectifier behavior
2018 · A. M. Guedes, S. M. Corrêa, et al. · Journal of Molecular Modeling · 11
Elucidating the Photophysics and Nonlinear Optical Properties of a Novel Azo Prototype for Possible Photonic Applications: A Quantum Chemical Analysis
2024 · Sàvio Fonseca, Neidy S. S. dos Santos, et al. · ACS Omega · 10
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The Importance of the Density Functional Theory Exchange–Correlation Hartree–Fock Term in Magnetic Resonance: Application to an Aqueous Environment
2023 · Patricio F. Provasi, Lucas Modesto-Costa, et al. · The Journal of Physical Chemistry A · 10
The entrapment of organic dyes into sol–gel matrix: Experimental results and modeling for photonic applications
2007 · Sheila C.S. Costa, Rodrigo M. Gester, et al. · Optical Materials · 10
SARS-CoV-2 external structures interacting with nanospheres using docking and molecular dynamics
2023 · Anderson Yuri Martins da Silva, Tiago da Silva Arouche, et al. · Journal of Biomolecular Structure and Dynamics · 9
Works count: 77
Citation count: 689
H-index: 14
I10-index: 24
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