Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks
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Title
Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks
Authors
Keywords
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Journal
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 39, Issue 16, Pages 999-1011
Publisher
Wiley
Online
2018-02-03
DOI
10.1002/jcc.25173
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