title: On the importance of a precise crystal structure for simulating gas adsorption in nanoporous materials.
abstract: We show that simulation of gas adsorption in nanoporous sorbents may be highly sensitive to accurate crystallographic coordinates, even for frameworks anticipated to have low flexibility.
authors.affiliation: Department of Chemistry, University of Nevada, Las Vegas, Las Vegas, NV 89154-4003, USA. Paul.Forster@unlv.edu.
authors.forename: Keith V
authors.initials: KV
authors.lastname: Lawler
authors.forename: Zeric
authors.initials: Z
authors.lastname: Hulvey
authors.forename: Paul M
authors.initials: PM
authors.lastname: Forster