Cytotoxicity and slow release of the anti-cancer drug doxorubicin from ZIF-8 IB Vasconcelos, TG da Silva, GCG Militão, TA Soares, NM Rodrigues, ... RSC Advances 2 (25), 9437-9442, 2012 | 287 | 2012 |
Would the solvent effect be the main cause of band shift in the theoretical absorption spectrum of large lanthanide complexes? RO Freire, NM Rodrigues, GB Rocha, IF Gimenez, NB da Costa Junior Journal of molecular structure, 2011 | 102* | 2011 |
Are Quantum Chemistry Semiempirical Methods Effective to Predict Solid State Structure and Adsorption in Metal Organic Frameworks? CRA Daniel, NM Rodrigues, NB da Costa Jr, RO Freire The Journal of Physical Chemistry C 119 (41), 23398-23406, 2015 | 28 | 2015 |
Host-guest interaction of ZnBDC-MOF+ doxorubicin: A theoretical and experimental study IB Vasconcelos, KA Wanderley, NM Rodrigues, NB da Costa Jr, RO Freire, ... Journal of Molecular Structure 1131, 36-42, 2017 | 17 | 2017 |
Theoretical evaluation of the performance of IRMOFs and M-MOF-74 in the formation of 5-fluorouracil@MOF NM Rodrigues, JBL Martins RSC Advances 11, 31090-31098, 2021 | 11 | 2021 |
Improving the quantum efficiency of the lanthanide-organic framework [Eu2 (MELL)(H2O) 6] by heating: A simple strategy to produce efficient luminescent devices R Milani, LL da Luz, ACV de Araújo, NM Rodrigues, EHL Falcão, ... Journal of Luminescence 187, 555-563, 2017 | 8 | 2017 |
Are metal dopant and ligands efficient to optimize the adsorption rate of CH4, H2 and H2S on IRMOFs? Insights from factorial design NM Rodrigues, JRS Politi, JBL Martins Computational Materials Science 210, 111438-111449, 2022 | 7 | 2022 |
IRMOF‐8: Theoretical evaluation of aluminum doping on hydrogen, methane, and hydrogen sulfide adsorption NM Rodrigues, JDL Dutra, JBL Martins, RO Freire International Journal of Quantum Chemistry, 2020 | 7 | 2020 |
Removal of hydrogen sulfide from a binary mixture with methane gas, using IRMOF-1: a theoretical investigation NM Rodrigues, LJ dos Santos, ESM Rodrigues, JBL Martins Journal of Molecular Modeling 27, 1-10, 2021 | 5 | 2021 |
Lanthanide organic frameworks geometry prediction accuracies of quantum chemical calculations NM Rodrigues, CRA Daniel, MR Edna da Silva, NB da Costa Jr, ... Journal of Molecular Structure 1184, 310-315, 2019 | 4 | 2019 |
GCMC and electronic evaluation of pesticide capture by IRMOF systems NM Rodrigues, MF Souza, JRS Politi, JBL Martins Journal of Molecular Modeling 28, 316-328, 2022 | 2 | 2022 |
Ligand and Solvent Effects on the Structural and Optical Properties of Au13L83+ Clusters: a Density Functional Theory Study ES Machado, NM Rodrigues, MVA Prado, JDL Dutra, NB Costa Júnior, ... Journal of the Brazilian Chemical Society 30 (7), 1458-1468, 2019 | 1 | 2019 |
Polyphenol-mediated preparation of metal nanoparticles: experimental and theoretical study LCF de Carvalho, YA de Almeida, E da Silva Machado, NM Rodrigues, ... Chemical Papers 78 (3), 1625-1634, 2024 | | 2024 |
CO2 and CO Capture on the ZnO Surface: A GCMC and Electronic Structure Study JS Gordijo, NM Rodrigues, JBL Martins ACS Omega, 2023 | | 2023 |
Computer Simulations of MOF Systems: Key Applications NM Rodrigues, JBL Martins Research Topics in Bioactivity, Environment and Energy: Experimental and …, 2022 | | 2022 |
DFT/TDDFT investigation on the structural and optical properties of Au13L clusters ES Machado, NM Rodrigues, NB Costa Junior, VC Felicissimo THEORETICAL CHEMISTRY ACCOUNTS 139 (4), 2020 | | 2020 |
Design Teórico de Transportadores de Elétrons para aplicação em OLEDs. NM Rodrigues, ES Machado, NB da Costa Júnior, RO Freire Scientia Plena 9 (7 (b)), 2013 | | 2013 |