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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/140-Wullf/CHOCHO f2+f2-fs	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only	Geometry optimization	DFT	-	-434.31220663; eV
	11-Feb-2025	/C-O-H-Cu-cluster/55-D5h/CHOCHO e1+c2-fs	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:05:11) complex	Geometry optimization	DFT	-	-184.62323174; eV
	11-Feb-2025	/C-O-H-Cu-cluster/309-Ih/edge2 CO	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only	Geometry optimization	DFT	-	-927.85583086; eV
	11-Feb-2025	/C-O-H-Cu-cluster/309-Ih/edge1 CO	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only	Geometry optimization	DFT	-	-927.76034834; eV
	11-Feb-2025	/C-O-H-Cu-cluster/79-Wullf/corner CHO	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:05:11) complex	Geometry optimization	DFT	-	-234.60721281; eV
	11-Feb-2025	/C-O-H-Cu-cluster/55-Ih/corner CHO	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:05:11) complex	Geometry optimization	DFT	-	-167.23221847; eV
	11-Feb-2025	/C-O-H-Cu-cluster/55-Ih/edge CO	Xuning, Wang	vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:32:46) complex	Geometry optimization	DFT	-	-164.52079820; eV
	11-Feb-2025	/bare-Cu-cluster/symmetric_ 147D5h	Xuning, Wang	vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:32:46) complex	Geometry optimization	DFT	-	-416.65028336; eV
	11-Feb-2025	/bare-Cu-cluster/slab 111ad	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:05:11) complex	Geometry optimization	DFT	-	-106.43731614; eV
	11-Feb-2025	/C-O-H-Cu-cluster/140-Wullf/CHOCHO e+e-fs	Xuning, Wang	vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only	Geometry optimization	DFT	-	-434.87045548; eV

Results 370511-370520 of 370568 (Search time: 0.332 seconds).