Published in
Royal Society of Chemistry, Molecular Systems Design & Engineering, 2023
DOI: 10.1039/d2me00237j
Links
Tools
Effects of MOF linker rotation and functionalization on methane uptake and diffusion
Journal article published in 2023 by
Shuwen Yue 
,
Changhwan Oh ,
Aditya Nandy ,
Gianmarco G. Terrones ,
Heather J. Kulik
,
Changhwan Oh ,
Aditya Nandy ,
Gianmarco G. Terrones ,
Heather J. Kulik
This paper is made freely available by the publisher.
Full text: Download
Published version:
archiving forbidden
Data provided by 
Abstract
Neglecting linker rotation in molecular simulations of methane in UiO-66 can have a significant impact on methane diffusion and moderate impact on methane uptake.