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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jan-2026	/FG_dataset/amidines/ru/0001 ru-4aZ8-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-514.21775677; eV
	16-Jan-2026	/FG_dataset/group2/ru/0001 ru-4601-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-482.39382521; eV
	3-Feb-2023	/OD-Cu_sites s4	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1839.34694467; eV
	3-Feb-2023	/OD-Cu_sites s5_CO3	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1869.33531666; eV
	30-Jun-2023	Pt-3xN6-pristine-3xN6-5.11_07	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1972.75615836; eV
	3-Feb-2023	/OD-Cu_sites s4_CO2	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Single point	DFT	-	-1861.36412595; eV
	30-Jun-2023	Pt-3xN6-Pt-4xN6-8.37_20	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1970.53261498; eV
	30-Jun-2023	Ru-3xN6-Ru-3xN6-3.75_02	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1983.79793467; eV
	19-Mar-2026	/PTaW P01Ta02W03O19-2H-iso-13	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-8.35906527; Eh
	25-Jun-2024	/Intermediates/Pt/110 C3H7NO_4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-481.59665821; eV

Results 40241-40250 of 103083 (Search time: 0.024 seconds).