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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-May-2026	/3_Ti_vac/Ag/topm topm	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-507.99224990; eV
	14-May-2026	/3_Ti_vac/Ag/topo topo	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-508.08925528; eV
	14-May-2026	/3_Ti_vac/Pt/topc topc	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-512.95681858; eV
	14-May-2026	/3_Ti_vac/Ru/NoH/co2rr/CH3_2 CH3_2	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-531.85377728; eV
	14-May-2026	/3_Ti_vac/Ru/NoH/co2rr/H3CO_2 H3CO_2	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-533.63895066; eV
	14-May-2026	/3_Ti_vac/Ru/NoH/co2rr/HCOH HCOH	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-535.17757077; eV
	14-May-2026	/3_Ti_vac/Ru/NoH/co2rr/CH_2 CH_2	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-524.30227977; eV
	14-May-2026	/3_Ti_vac/Ru/NoH/co2rr/CO CO	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-528.23058942; eV
	14-May-2026	/3_Ti_vac/Ru/NoH NoH	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-512.87403606; eV
	14-May-2026	/3_Ti_vac/Ag/topc topc	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-508.57437895; eV

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