Adsorption and sequential thermal release of F 2 , Cl 2 , and Br 2 molecules by a porous organic cage material (CC3‐R): Molecular dynamics and grand‐canonical Monte Carlo simulations
Ghalami, Zahra, Ghoulipour, Vanik, Khanchi, Ali RezaLanguage:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.26142
Date:
December, 2019
File:
PDF, 2.41 MB
english, 2019