| Influence of magnetic field on physical–chemical properties of the liquid water: Insights from experimental and theoretical models EJL Toledo, TC Ramalho, ZM Magriotis Journal of Molecular Structure 888 (1-3), 409-415, 2008 | 411 | 2008 |
| A new catalyst material based on niobia/iron oxide composite on the oxidation of organic contaminants in water via heterogeneous Fenton mechanisms LCA Oliveira, M Gonçalves, MC Guerreiro, TC Ramalho, JD Fabris, ... Applied Catalysis A: General 316 (1), 117-124, 2007 | 199 | 2007 |
| In silico Methods for Drug Design and Discovery S Brogi, TC Ramalho, K Kuca, JL Medina-Franco, M Valko Frontiers in chemistry 8, 612, 2020 | 188 | 2020 |
| New materials based on modified synthetic Nb2O5 as photocatalyst for oxidation of organic contaminants A Esteves, LCA Oliveira, TC Ramalho, M Goncalves, AS Anastacio, ... Catalysis Communications 10 (3), 330-332, 2008 | 132 | 2008 |
| On the limits of highest-occupied molecular orbital driven reactions: the frontier effective-for-reaction molecular orbital concept RR da Silva, TC Ramalho, JM Santos, JD Figueroa-Villar The journal of physical chemistry A 110 (3), 1031-1040, 2006 | 130 | 2006 |
| Photocatalytic degradation of methylene blue by TiO2–Cu thin films: Theoretical and experimental study HWP Carvalho, APL Batista, P Hammer, TC Ramalho Journal of hazardous materials 184 (1-3), 273-280, 2010 | 128 | 2010 |
| Catalytic properties of goethite prepared in the presence of Nb on oxidation reactions in water: computational and experimental studies LCA Oliveira, TC Ramalho, EF Souza, M Gonçalves, DQL Oliveira, ... Applied Catalysis B: Environmental 83 (3-4), 169-176, 2008 | 112 | 2008 |
| Nb-containing hematites Fe2− xNbxO3: the role of Nb5+ on the reactivity in presence of the H2O2 or ultraviolet light AC Silva, DQL Oliveira, LCA Oliveira, AS Anastacio, TC Ramalho, ... Applied Catalysis A: General 357 (1), 79-84, 2009 | 94 | 2009 |
| Understanding the inactivation process of organophosphorus herbicides: A DFT study of glyphosate metallic complexes with Zn2+, Ca2+, Mg2+, Cu2+, Co3+, Fe3+, Cr3+, and Al3+ MS Caetano, TC Ramalho, DF Botrel, EFF da Cunha, WC de Mello International Journal of Quantum Chemistry 112 (15), 2752-2762, 2012 | 90 | 2012 |
| Future therapeutic perspectives into the Alzheimer’s disease targeting the oxidative stress hypothesis JP Teixeira, AA de Castro, FV Soares, EFF da Cunha, TC Ramalho Molecules 24 (23), 4410, 2019 | 88 | 2019 |
| Boron as a promoter in the goethite (α-FeOOH) phase: Organic compound degradation by Fenton reaction AM Mesquita, IR Guimarães, GMM de Castro, MA Goncalves, ... Applied Catalysis B: Environmental 192, 286-295, 2016 | 88 | 2016 |
| Modified goethites as catalyst for oxidation of quinoline: Evidence of heterogeneous Fenton process IR Guimarães, LCA Oliveira, PF Queiroz, TC Ramalho, M Pereira, ... Applied Catalysis A: General 347 (1), 89-93, 2008 | 88 | 2008 |
| Molecular modeling of Mycobacterium tuberculosis DNA gyrase and its molecular docking study with gatifloxacin inhibitors EFF da Cunha, EF Barbosa, AA Oliveira, TC Ramalho Journal of biomolecular structure and dynamics 27 (5), 619-625, 2010 | 85 | 2010 |
| Nanostructured δ-FeOOH: a novel photocatalyst for water splitting MC Pereira, EM Garcia, AC da Silva, E Lorençon, JD Ardisson, E Murad, ... Journal of Materials Chemistry 21 (28), 10280-10282, 2011 | 84 | 2011 |
| Construction and assessment of reaction models of class I EPSP synthase: molecular docking and density functional theoretical calculations TC Ramalho, MS Caetano, EFF da Cunha, TCS Souza, MVJ Rocha Journal of Biomolecular Structure and Dynamics 27 (2), 195-207, 2009 | 77 | 2009 |
| Adsorption of diclofenac on a magnetic adsorbent based on maghemite: experimental and theoretical studies VO Leone, MC Pereira, SF Aquino, LCA Oliveira, S Corrêa, TC Ramalho, ... New Journal of Chemistry 42 (1), 437-449, 2018 | 76 | 2018 |
| Synthesis and antiproliferative activity of 8-hydroxyquinoline derivatives containing a 1, 2, 3-triazole moiety LBO Freitas, TF Borgati, RP de Freitas, ALTG Ruiz, GM Marchetti, ... European Journal of Medicinal Chemistry 84, 595-604, 2014 | 74 | 2014 |
| Pure niobia as catalyst for the oxidation of organic contaminants: mechanism study via ESI-MS and theoretical calculations LCA Oliveira, TC Ramalho, M Gonçalves, F Cereda, KT Carvalho, ... Chemical Physics Letters 446 (1-3), 133-137, 2007 | 73 | 2007 |
| Insights on the Solubility of CO2 in 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide from the Microscopic Point of View TC Lourenço, MFC Coelho, TC Ramalho, D van der Spoel, LT Costa Environmental science & technology 47 (13), 7421-7429, 2013 | 70 | 2013 |
| Reactivation steps by 2-PAM of tabun-inhibited human acetylcholinesterase: reducing the computational cost in hybrid QM/MM methods A da Silva Gonçalves, TCC França, MS Caetano, TC Ramalho Journal of biomolecular structure and dynamics 32 (2), 301-307, 2014 | 69 | 2014 |
