Title

On the importance of a precise crystal structure for simulating gas adsorption in nanoporous materials

Document Type

Article

Publication Date

2015

Publication Title

Physical Chemistry Chemical Physics

Volume

17

Issue

29

First page number:

18904

Last page number:

18907

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.

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