Rodrigo Gester
Rodrigo Gester
Universidade Federal do Sul e Sudeste do Pará
Verified email at
Cited by
Cited by
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
NMR Chemical Shielding and Spin−Spin Coupling Constants of Liquid NH3: A Systematic Investigation using the Sequential QM/MM Method
RM Gester, HC Georg, S Canuto, MC Caputo, PF Provasi
The Journal of Physical Chemistry A 113 (52), 14936-14942, 2009
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
Transient charging and discharging of spin-polarized electrons in a quantum dot
FM Souza, SA Leao, RM Gester, AP Jauho
Physical Review B 76 (12), 125318, 2007
Design of a Molecular-Bridge Field Effect Transistor (MBFET)
A Saraiva-Souza, RM Gester, MLA Reis, FM Souza, JD Nero
Journal of Computational and Theoretical Nanoscience 5 (11), 2243-2246, 2008
Theoretically describing the 17O magnetic shielding constant of biomolecular systems: uracil and 5-fluorouracil in water environment
RM Gester, C Bistafa, HC Georg, K Coutinho, S Canuto
Theoretical Chemistry Accounts 133 (1), 1-8, 2014
Giant values obtained for first hyperpolarizabilities of methyl orange: a DFT investigation
A Pimenta, T Andrade-Filho, V Manzoni, J Del Nero, R Gester
Theoretical Chemistry Accounts 138 (2), 1-6, 2019
Single-molecular diodes based on opioid derivatives
MRS Siqueira, SM Corrêa, RM Gester, J Del Nero, A Neto
Journal of molecular modeling 21 (12), 1-9, 2015
Cálculo de velocidades em acidentes de trânsito: Um software para investigação em física forense
WP Gurgel, LM Gomes, FCL Ferreira, RM Gester
Revista Brasileira de Ensino de Física 37, 4305-1-4305-10, 2015
The entrapment of organic dyes into sol–gel matrix: Experimental results and modeling for photonic applications
SCS Costa, RM Gester, JR Guimarães, JG Amazonas, J Del Nero, ...
Optical Materials 30 (9), 1432-1439, 2008
A simple analysis of the influence of the solvent-induced electronic polarization on the 15N magnetic shielding of pyridine in water
RM Gester, HC Georg, TL Fonseca, PF Provasi, S Canuto
Theoretical Chemistry Accounts 131 (5), 1-8, 2012
Theoretical study of a recently synthesized azo dyes useful for OLEDs
R Gester, A Torres, C Bistafa, RS Araujo, TA da Silva, V Manzoni
Materials Letters 280, 128535, 2020
Isomeric effects tuning the electron transport in carotenoid derivatives: from ohmic to rectifier behavior
AM Guedes, SM Corrêa, DFS Ferreira, MRS Siqueira, RM Gester, A Neto, ...
Journal of molecular modeling 24 (9), 1-9, 2018
The role of electrostatic interactions and solvent polarity on the 15N NMR shielding of azines
L Modesto-Costa, RM Gester, V Manzoni
Chemical Physics Letters 686, 189-194, 2017
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, 114415, 2020
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
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
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
Theoretical analysis of the influence of C–H ⋯ O bonds on the NMR constants of uracil in DMSO
R Gester, RSG Carrano, PF Provasi, C Bistafa, S Canuto
Theoretical Chemistry Accounts 139 (10), 1-10, 2020
Theoretical study of the adsorption of diphenylalanine on pristine graphene
DA Silva-Alves, MVS Camara, AMJ Chaves-Neto, R Gester, ...
Theoretical Chemistry Accounts 139 (4), 1-5, 2020
The system can't perform the operation now. Try again later.
Articles 1–20