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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Feb-2025	/bare-Cu-cluster/rpso 130	Xuning, Wang	vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:42:08) gamma-only	Geometry optimization	DFT	-	-369.50770369; eV
	11-Feb-2025	/C-O-H-Cu-cluster/55-D5h/CHOCHO e1+c1-fs	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:05:11) complex	Geometry optimization	DFT	-	-184.51648547; eV
	11-Feb-2025	/C-O-H-Cu-cluster/79-Wullf/COCHO c+f-is	Xuning, Wang	vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:32:46) complex	Geometry optimization	DFT	-	-249.43982738; eV
	11-Feb-2025	/C-O-H-Cu-cluster/147-Ih/CHOCHO e1+e1-fs	Xuning, Wang	vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:32:46) complex	Geometry optimization	DFT	-	-459.50467797; eV
	11-Feb-2025	/C-O-H-Cu-cluster/140-Wullf/corner CHO	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only	Geometry optimization	DFT	-	-415.60627682; eV
	11-Feb-2025	/C-O-H-Cu-cluster/309-D5h/corner1 CHO	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only	Geometry optimization	DFT	-	-923.80430386; eV
	11-Feb-2025	/C-O-H-Cu-cluster/147-Oh/facet2 CO	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only	Geometry optimization	DFT	-	-430.24720429; eV
	11-Feb-2025	/C-O-H-Cu-cluster/309-Ih/edge1 CHO	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only	Geometry optimization	DFT	-	-930.67520302; eV
	11-Feb-2025	/C-O-H-Cu-cluster/79-Wullf/edge CHOH	Xuning, Wang	vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:32:46) complex	Geometry optimization	DFT	-	-237.84304599; eV
	11-Feb-2025	/C-O-H-Cu-cluster/309-Ih/corner CO	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only	Geometry optimization	DFT	-	-927.79549953; eV

Results 370501-370510 of 370568 (Search time: 0.312 seconds).