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Collection hits:

Collection Name
Cu-cluster

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Feb-2025	/C-O-H-Cu-cluster/147-Ih/CHOCHO e1+e2-fs	Xuning, Wang	vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:32:46) complex	Geometry optimization	DFT	-	-459.47233763; eV
	11-Feb-2025	/C-O-H-Cu-cluster/79-Wullf/COCO f+f-fs	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:05:11) complex	Geometry optimization	DFT	-	-244.60926371; eV
	11-Feb-2025	/C-O-H-Cu-cluster/225-Wullf/edge2 CHO	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only	Geometry optimization	DFT	-	-670.62021352; eV
	11-Feb-2025	/C-O-H-Cu-cluster/309-D5h/facet2 CHO	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only	Geometry optimization	DFT	-	-923.72203931; eV
	11-Feb-2025	/C-O-H-Cu-cluster/309-Oh/facet1 CHO	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only	Geometry optimization	DFT	-	-921.24253004; eV
	11-Feb-2025	/C-O-H-Cu-cluster/147-Oh/facet2 CHOH	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:05:11) complex	Geometry optimization	DFT	-	-436.38167705; eV
	11-Feb-2025	/C-O-H-Cu-cluster/309-Oh/corner1 CO	Xuning, Wang	vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:42:08) gamma-only	Geometry optimization	DFT	-	-918.65612739; eV
	11-Feb-2025	/bare-Cu-cluster/symmetric_ 55D5h	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:05:11) complex	Geometry optimization	DFT	-	-147.03996671; eV
	11-Feb-2025	/bare-Cu-cluster/symmetric_ 79Wullf	Xuning, Wang	vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:32:46) complex	Geometry optimization	DFT	-	-216.42352775; eV

Results 370521-370530 of 370568 (Search time: 0.345 seconds).