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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Aug-2022	/Sampling Au-2O-bulkvac-1ce3-pos_33-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-846.99076110; eV
	25-Jun-2024	/Intermediates/Ni/110 C2H5NO_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-420.88571876; eV
	4-Aug-2022	/Sampling Au-2O-bulkvac-2ce3-pos_28_29-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.07126431; eV
	4-Aug-2022	/Sampling Au-2O-bulkvac-2ce3-pos_28_33-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.09386479; eV
	4-Aug-2022	/Sampling Au-2O-oxygen-2ce3-pos_30_32-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-859.49041759; eV
	4-Aug-2022	/Sampling Au-2O-oxygen-2ce3-pos_28_30-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-859.50557989; eV
	4-Aug-2022	/Sampling Au-2O-bulkvac-2ce3-pos_29_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-846.94634298; eV
	4-Aug-2022	/Sampling Au-2O-oxygen-2ce3-pos_29_32-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-858.98888143; eV
	4-Aug-2022	/Sampling Au-2O-oxygen-2ce3-pos_34_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-859.49106044; eV
	4-Aug-2022	/Sampling Au-2O-bulkvac-1ce3-pos_28-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-846.57548022; eV

Results 70261-70270 of 104471 (Search time: 0.041 seconds).