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]

Authors

Yujia Pang

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Wenliang Li

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Jingping Zhang

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