Elucidating the breathing of the metal-organic framework MIL-53(Sc) with ab initio molecular dynamics simulations and in situ X-ray powder diffraction experiments

Linjiang Chen, John P. S. Mowat, David Fairen-Jimenez, Carole A. Morrison, Stephen P. Thompson, Paul A. Wright, Tina Dueren^*

^*Corresponding author for this work