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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Rh/110 C3H8S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-553.88755016; eV
	25-Jun-2024	/Intermediates/Rh/100 C2H5NO_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-378.62134053; eV
	25-Jun-2024	/Intermediates/Pt/110 H2S_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/amidines/ni/111 ni-4aZ6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-341.63437494; eV
	19-Mar-2026	/VW V01W05O19-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-8.19202745; Eh
	19-Mar-2026	/Nb Nb02O07-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.26661780; Eh
	10-Jul-2022	/redCO2 OD-Cu-261-H-top	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1877.75284363; eV
	10-Jul-2022	/redCO2 OD-Cu-255-O-top	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1879.27448166; eV
	10-Jul-2022	/redCO2 OD-Cu-261-O-top	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1880.32038605; eV
	1-Mar-2022	Ag-4O-2Ce3-30_36	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-853.18908052; eV

Results 31211-31220 of 104512 (Search time: 0.018 seconds).