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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Apr-2026	NiO-100	Solé Daura, Albert	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-785.59283525; eV
	29-Apr-2026	NiO-110	Solé Daura, Albert	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-751.22941768; eV
	29-Apr-2026	/redCO2 CuML-Ag(110)(3x3)-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-118.42576322; eV
	29-Apr-2026	/redCO2 CuML-Ag(211)(3x3)-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-124.57401061; eV
	29-Apr-2026	/redCO2 CuML-Ag(100)(3x3)-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-122.42249977; eV
	29-Apr-2026	/redCO2 CuML-Ag(211)(3x3)-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-140.22218846; eV
	29-Apr-2026	/redCO2 Cu(110)(3x3)-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-154.73140886; eV
	29-Apr-2026	/redCO2 Cu(211)(3x3)-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-177.93017087; eV
	29-Apr-2026	/redCO2 Cu(100)(3x3)-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-160.67270455; eV
	29-Apr-2026	/redCO2 Ag(100)(3x3)-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-132.77653294; eV

Results 7161-7170 of 103529 (Search time: 0.007 seconds).