| 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 | 60 | 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 | 43 | 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 | 42 | 2019 |
| 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 | 34 | 2020 |
| 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 | 27 | 2019 |
| Transient charging and discharging of spin-polarized electrons in a quantum dot FM Souza, SA Leao, RM Gester, AP Jauho Physical Review B—Condensed Matter and Materials Physics 76 (12), 125318, 2007 | 25 | 2007 |
| 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 | 22 | 2021 |
| 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 | 19 | 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, 1-8, 2014 | 18 | 2014 |
| 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 | 16 | 2008 |
| Single-molecular diodes based on opioid derivatives MRS Siqueira, SM Corrêa, RM Gester, J Del Nero, A Neto Journal of molecular modeling 21, 1-9, 2015 | 15 | 2015 |
| 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, 1-8, 2012 | 15 | 2012 |
| 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 | 14 | 2021 |
| 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 | 14 | 2015 |
| 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 | 13 | 2020 |
| 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 | 12 | 2017 |
| 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, 1-9, 2018 | 11 | 2018 |
| Encapsulation ability of silicon carbide and boron nitride nanotubes for spilanthol molecule AM Rodrigues, AR Palheta-Júnior, MSS Pinheiro, AMR Marinho, ... Journal of Nanostructure in Chemistry 11, 203-213, 2021 | 9 | 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 |
| 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 | 8 | 2021 |
Sylvio CanutoInstituto de Física, Universidade de São Paulo在 if.usp.br 的电子邮件经过验证
