membro de https://brcris.ibict.br/individual/comm_ee459614-d3fc-461b-b7eb-f628e356a377 Grupo de Físico-Química de Sólidos e Interfaces Grupo de Pesquisa
publicações selecionadas Computational exploration of the anion exchange on the basal surface of layered double hydroxides by molecular dynamics Tuning Cellular Biological Functions Through the Controlled Release of NO from a Porous Ti-MOF Highly Selective Removal of Perfluorinated Contaminants by Adsorption on All¿Silica Zeolite Beta Adsorption of an iron(III)porphyrin onto a 2:1 Zn/Al-CO3 layered double hydroxide and its use as an oxidation catalyst with different counter ions: An experimental and DFT study Proposição de estrutura e parâmetros de interação molecular em adsorventee e catalisadores a base de hidroxissais, carboxilatos e MOF de Zn 2+ usando cálculos de estrutura eletrônica. Insights into the Enhancement of MOF/Polymer Adhesion in Mixed-Matrix Membranes Polymer Functionalization Computational investigation of two-dimensional LDHs and the modification of their electronic structure induced by defects DFT and force-field based MD simulations of formamide intercalation in LDH and its exfoliated form A systematic first-principles exploration of the impact of metal doping on the electronic properties of MOF MIP-177(Ti) Exfoliation of zirconium aminophosphonates: investigation into their electronic structures by ab initio calculations Proposição de estrutura e parâmetros de interação molecular em adsorventes e catalisadores à base de hidroxissais, carboxilatos e MOF de Zn2+ usando cálculos de estrutura eletrônica Computational Studies of MoS 2 Nanotubes for Hydrodesulfurization Simulação de estrutura e cálculo de propriedades de Zn5(OH)8Cl2.H2O e Zn5(OH)8(NO3)2.2H2O utilizando métodos ab initio
