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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Feb-2024	nh3	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 13 2022 15:04:24) complex	Geometry optimization	DFT	-	-352.88499656; eV
	20-Feb-2024	2n_6h	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 16 2019 13:19:51) gamma-only	Geometry optimization	DFT	-	-811.82429386; eV
	20-Feb-2024	nh3	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Feb 19 2023 10:37:11) gamma-only	Geometry optimization	DFT	-	-793.34616499; eV
	20-Feb-2024	surface	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Feb 19 2023 10:37:11) gamma-only	Geometry optimization	DFT	-	-772.75126571; eV
	20-Feb-2024	surface	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 16 2019 13:19:51) gamma-only	Geometry optimization	DFT	-	-771.14354950; 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	(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
	26-Sep-2023	(3,1,0)_1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-1323.30802086; eV
	26-Sep-2023	(3,0,1)_3	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-1315.38069041; eV

Results 31-40 of 45 (Search time: 0.001 seconds).