Molecular simulation study on the flexibility in the interpenetrated metal–organic framework LMOF-201 using reactive force field
Keyword(s):
The guest-induced structural changes in LMOF-201 were demonstrated by using reactive force field combined with Grand Canonical Monte Carlo and molecular dynamics simulations.
2019 ◽
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pp. 094503
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pp. 100555
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pp. 13735-13742
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