Gas adsorption in Mg-porphyrin-based porous organic frameworks: A computational simulation by first-principles derived force field

Yujia Pang, Wenliang Li, Jingping Zhang. Gas adsorption in Mg-porphyrin-based porous organic frameworks: A computational simulation by first-principles derived force field. Journal of Computational Chemistry, 38(24):2100-2107, 2017. [doi]

Abstract

Abstract is missing.