7 records found
1
Molecular simulation of gas adsorption and diffusion in a breathing MOF using a rigid force field
Understanding adsorption and diffusion of highly polar vapors on mesoporous MOFs through a combined experimental and molecular simulation approach
Understanding adsorption of highly polar vapors on mesoporous MIL-100(Cr) and MIL-101(Cr): Experiments and molecular simulations
Toward a transferable set of charges to model zeolitic imidazolate frameworks: combined experimental-theoretical research
Towards a transferable set of charges to model zeolitic imidazolate frameworks: A combined experimental-theoretical approach
Performance of chiral zeolites for enantiomeric separation revealed by molecular simulation
