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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Feb-2026	/redCO2 Cu(111)(3x3)-CHO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-181.63210794; eV
	2-Feb-2026	/DOS CuML-Ag(111)(3x3)-DOS	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Single point	DFT	-	-123.72368408; eV
	2-Feb-2026	/redCO2 Ag(111)(3x3)-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-119.11697215; eV
	2-Feb-2026	/redCO2 Cu(111)(3x3)-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-178.78623540; eV
	2-Feb-2026	/redCO2 Cu(111)(3x3)-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-166.23528078; eV
	2-Feb-2026	/redCO2 Ag(111)(3x3)-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-121.91931125; eV
	2-Feb-2026	/DOS Ag(111)(3x3)-DOS	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Single point	DFT	-	-119.13064001; eV
	2-Feb-2026	/DOS Cu(111)(3x3)-DOS	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Single point	DFT	-	-163.16250979; eV
	2-Feb-2026	/redCO2 CuML-Au(111)(3x3)-COCOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-178.07228840; eV
	2-Feb-2026	/redCO2 CuML-Ag(111)(3x3)-COCOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-157.97018411; eV

Results 104491-104500 of 104508 (Search time: 0.061 seconds).