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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-SO3_(N) N-7	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1708.63780500; eV
	23-Feb-2022	/UiO66-Ce_(I_and_J) I-1	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1678.94702503; eV
	23-Feb-2022	/UiO66-Ce_(I_and_J) J-TS2-3	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1787.83237895; eV
	23-Feb-2022	/UiO66-Ce_(I_and_J) J-TS6-7	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1731.02003246; eV
	23-Feb-2022	/UiO66_(A) A-7	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1707.54461208; eV
	23-Feb-2022	/UiO66_(A) A-6	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1738.75694459; eV
	23-Feb-2022	/UiO66-H_(K_and_L) K-5	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1729.29171502; eV
	23-Feb-2022	/UiO66-H_(K_and_L) K-1	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1673.53102073; eV
	23-Feb-2022	/UiO66-SO3_(N) N-2	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1796.72641153; eV
	23-Feb-2022	/UiO66-Ce_(I_and_J) I-TS5-6	Rellán-Piñeiro, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:20:27) gamma-only	Frequencies	DFT	-	-1734.91901756; eV

Results 11-20 of 53 (Search time: 0.001 seconds).