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. 2020 Dec 10;10(72):43940–43949. doi: 10.1039/d0ra08864a

A summary of adsorption temperature ranges in which various types of adsorption sites are populated during simulated annealing processes starting from 3 different initial configurations sampling from the 300 K NVT ensemble.

	P₁	P₂	P₃	P₄	P₅
BDC based	300–210 K	205–55 K	70–30 K	45–20 K	25–15 K
	300–215 K	220–55 K	85–30 K	55–20 K	30–20 K
	300–175 K	170–70 K	80–45 K	55–10 K	40–15 K
DHF based	300–170 K	260–50 K	50 K
	300–210 K	155–65 K	—
	300–210 K	150–20 K	20 K