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Issue DateTitleAuthor(s)
2019Ab initio molecular dynamics simulation of methanol and acetonitrile : the effect of van der Waals interactions.Resende, Rafael Fanni Dias; Costa, Cleidinéia Cavalcante da; Manhabosco, Taíse Matte; Oliveira, Alan Barros de; Matos, Matheus Josué de Souza; Soares, Jaqueline dos Santos; Batista, Ronaldo Junio Campos
2018Nanoporous graphene and H‑BN from BCN precursors : first-principles calculations.Dias, Rafael Freitas; Martins, Jonathan da Rocha; Chacham, Helio; Oliveira, Alan Barros de; Manhabosco, Taíse Matte; Batista, Ronaldo Junio Campos
2016A simple model for solute–solvent separation through nanopores based on core-softened potentials.Vasconcelos, Cláudia Karina Barbosa de; Batista, Ronaldo Junio Campos; Régis, McGlennon da Rocha; Manhabosco, Taíse Matte; Oliveira, Alan Barros de
2016Vibrational G peak splitting in laterally functionalized single wall carbon nanotubes : theory and molecular dynamics simulations.Oliveira, Alan Barros de; Chacham, Helio; Soares, Jaqueline dos Santos; Manhabosco, Taíse Matte; Resende, Hélio Fernando Verona de; Batista, Ronaldo Junio Campos
2016Effect of TiO2 nanoparticles on polyaniline films electropolymerized at different pH.Leite Filho, Valfrido Furtado; Machado, Giovanna; Batista, Ronaldo Junio Campos; Soares, Jaqueline dos Santos; Oliveira, Alan Barros de; Vasconcelos, Cláudia Karina Barbosa de; Lino, Andre Alves; Manhabosco, Taíse Matte