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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/Ni/110 C2H4S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-407.91957195; eV
	25-Jun-2024	/Intermediates/Rh/110 C3H9N_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Pt/110 C3H7N	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Ru/10m11 S_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Au/110 C6H6_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-297.15403588; eV
	25-Jun-2024	/Intermediates/Cu/110 C2H6	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-292.03868308; eV
	16-Jan-2026	/FG_dataset/aromatics/os/0001 os-66S1-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-601.07217243; eV
	19-Mar-2026	/AsTaW As01Ta05W06O39-3H-iso-2016050	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-17.48694813; Eh
	19-Mar-2026	/AsTaW As01Ta07W02O34-1H-iso-81504	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-15.22155391; Eh
	19-Mar-2026	/AsTaW As01Ta07W02O34-0H-iso-90872	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-15.12058212; Eh

Results 84111-84120 of 104124 (Search time: 0.054 seconds).