On the importance of a precise crystal structure for simulating gas adsorption in nanoporous materials.
作者： Keith V. Lawler , Zeric Hulvey , Paul M. Forster
DOI: 10.1039/C5CP01544H
关键词:
摘要: We show that simulation of gas adsorption in nanoporous sorbents may be highly sensitive to accurate crystallographic coordinates, even for frameworks anticipated have low flexibility.
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