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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Aug-2022	/Sampling Au-2O-surfvac-2ce3-pos_30_33-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-847.52933931; eV
	4-Aug-2022	/Sampling Au-2O-surfvac-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	-	-847.75819885; eV
	4-Aug-2022	/Sampling Au-2O-surfvac-1ce3-pos_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-848.16516056; eV
	4-Sep-2023	pbe1pbeSP_Q1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	6-311+G(D,P) SDD GENECP	-1139.0545864; Eh
	16-Sep-2022	/Cationic_system/SP i5-+-t-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G* GENECP*	-3070.077441; Eh
	16-Sep-2022	/Cationic_system/SP i6-+-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-3070.1161943; Eh
	31-Jul-2023	/M_S_SACs/M_sq_C5S4/Rh_sq_C5S4 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-627.54075657; eV
	4-Aug-2022	/Sampling Au-2O-surfvac-2ce3-pos_30_31-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-848.14118322; eV
	4-Aug-2022	/Sampling Au-2O-surfvac-2ce3-pos_28_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-847.77762985; eV
	4-Aug-2022	/Sampling Au-2O-bulkvac-2ce3-pos_35_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-846.99086661; eV

Results 21651-21660 of 101953 (Search time: 0.014 seconds).