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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2020	XPS-4R-red-O-1s-380	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1943.37113003; eV
	5-May-2020	XPS-4R-ox-O-1s-473	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-2052.98373003; eV
	5-May-2020	XPS-4R-ox-O-1s-474	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-2052.73096781; eV
	5-May-2020	XPS-4R-ox-O-1s-475	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-2053.21627345; eV
	15-Jan-2020	/ADF/Expansion_Dataset/UO2_OH_NO3_xH2O/UO2_H2O UO2_H2O	Petrus, Enric	ADF; 2016	Geometry optimization	BP86	TZP	-
	15-Jan-2020	/ADF/Expansion_Dataset/3no3 3no3	Petrus, Enric	ADF; 2016	Geometry optimization	BP86	TZP	-
	27-Jun-2023	SP_Z-tsB2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-2016.2689874; Eh
	15-Jan-2020	/G09/UO2_H2Ox/UO2_4H2O UO2_4H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GEN*	-933.076176788; Eh
	5-May-2020	XPS-4R-ox-O-1s-488	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-2051.90086365; eV
	5-May-2020	XPS-4R-ox-O-1s-492	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-2053.30878052; eV

Results 16341-16350 of 104515 (Search time: 0.011 seconds).