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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-May-2023	/High_coverage physisorbed_formaldehyde	Mates Torres, Eric	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	N/A	DFT	-	-535.47497588; eV
	24-May-2023	Bulk	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-64.02986367; eV
	24-May-2023	Slab	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-173.12621619; eV
	26-Sep-2023	(2,0,1)_2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-942.03042972; eV
	26-Sep-2023	(0,3,2)_1	Mates Torres, Eric	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-753.06812282; eV
	26-Sep-2023	(1,0,1)_6	Mates Torres, Eric	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-570.61666123; eV
	26-Sep-2023	(2,1,2)_2	Mates Torres, Eric	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-755.21891165; eV
	26-Sep-2023	(0,1,0)_2	Mates Torres, Eric	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-281.01542565; eV
	26-Sep-2023	(3,3,1)_2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-1317.05484998; eV
	26-Sep-2023	(3,1,2)_1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-1324.23542066; eV

Results 11-20 of 52 (Search time: 0.002 seconds).