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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Feb-2022	/UiO66-Ce_(I_and_J) I-TS2-3	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1791.59925806; eV
	23-Feb-2022	/UiO66-Ce_(I_and_J) J-2	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1788.36717765; eV
	23-Feb-2022	/UiO66-Ti_(F) F-1	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1680.20722965; eV
	23-Feb-2022	/UiO66_(A) A-5	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1739.00936989; eV
	23-Feb-2022	/UiO66-Ti_(F) F-7	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1705.14145677; eV
	23-Feb-2022	/UiO66-H_(K_and_L) L-7	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1697.64455507; eV
	23-Feb-2022	/UiO66-H_(K_and_L) L-TS2-3	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1785.53863954; eV
	23-Feb-2022	/UiO66-H_(K_and_L) L-TS5-6	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1728.83572955; eV
	23-Feb-2022	/UiO66-SO3_(N) N-5	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1740.05363374; eV
	23-Feb-2022	/UiO66-Ce_(I_and_J) I-2	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1792.16001871; eV

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