Browsing Kjemisk institutt by Author "Coutinho, Kaline"
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Santos, Denys E. S.; Coutinho, Kaline; Soares da Silva, Thereza Amelia (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2022)The surface assessment via grid evaluation (SuAVE) software was developed to account for the effect of curvature in the calculations of structural properties of chemical interfaces regardless of the chemical composition, ...
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Vendite, Alexsander; Soares da Silva, Thereza Amelia; Coutinho, Kaline (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2022)We performed theoretical studies of CO2 capture in atmospheric conditions by the zeolitic imidazolate framework-8 (ZIF-8) via classical Monte Carlo (MC) simulations with Metropolis sampling and classical molecular dynamics ...