4 records found
1
COSMO-3D
Incorporating three-dimensional contact information into the COSMO-SAC model
Solubility of the precombustion gases CO2, CH4, CO, H2, N2, and H2S in the ionic liquid [bmim][Tf2N] from Monte Carlo simulations
Enantioselective adsorption of ibuprofen and lysine in metal¿organic frameworks
Understanding adsorption and diffusion of highly polar vapors on mesoporous MOFs through a combined experimental and molecular simulation approach