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A force field for dynamic Cu-BTC metal-organic framework

✍ Scribed by Lei Zhao; Qingyuan Yang; Qintian Ma; Chongli Zhong; Jianguo Mi; Dahuan Liu

Book ID: 106240286
Publisher: Springer-Verlag
Year: 2010
Tongue: English
Weight: 314 KB
Volume: 17
Category: Article
ISSN: 1610-2940
DOI: 10.1007/s00894-010-0720-x

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## Abstract A new valence force field has been developed and validated for a particular class of coordination polymers known as nanoporous metal‐organic frameworks (MOFs), introduced recently by the group of Yaghi. The experimental, structural, and spectroscopic data in combination with density fun