. 2016 Dec 23;8(2):357–363. doi: 10.1021/acs.jpclett.6b02532

Table 3. Linear Thermal Expansion Coefficients Computed with Different Force Fields^a.

MOF	BTW-FF (ref ²⁰)	UFF	UFF4MOF	DREIDING	DWES	exp
IRMOF-1	–2.9 (−5.27)	–13.0	–26.2	–10.6	–18.9	–12.0 to −16.0^b
IRMOF-10	–5.4 (−8.11)	–15.2	–16.9	–16.0	–18.2
HKUST-1	–3.1 (−3.18)	–12.0	–11.1	–4.0		–4.1^c
UiO-66	–3.1 (−1.04)	–8.4

Units are in (10^–6·K^–1).

Refs^{49, 52, and 53.}

Ref (51).

Table 3. Linear Thermal Expansion Coefficients Computed with Different Force Fieldsa.