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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Jan-2020	/ADF/Expansion_Dataset/UO2_OH_NO3_xH2O/UO2_3H2O UO2_3H2O	Petrus, Enric	ADF; 2016	Geometry optimization	BP86	TZP	-
	15-Jan-2020	/ADF/UO2_2OH_xH2O/UO2_H2O UO2_H2O	Petrus, Enric	ADF; 2016	Geometry optimization	BP86	TZP	-
	19-May-2020	5MCC-OH_(and_TBD)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-1397.16040105; Eh
	15-Jan-2020	/G09/UO2_NO3_xH2O/UO2_3H2O UO2_3H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GEN*	-1137.16735283; Eh
	15-Jan-2020	/G09/UO2_2OH_xH2O/UO2_2H2O UO2_2H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GEN*	-932.245820088; Eh
	5-May-2020	XPS-SY-red-O-1s-383	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1575.87935908; eV
	5-May-2020	XPS-SY-red-O-1s-384	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1575.20077290; 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/UO2_NO3_xH2O/UO2_2H2O UO2_2H2O	Petrus, Enric	ADF; 2016	Geometry optimization	BP86	TZP	-
	15-Jan-2020	/ADF/Expansion_Dataset/2no3_oh 2no3_oh	Petrus, Enric	ADF; 2016	Geometry optimization	BP86	TZP	-

Results 15661-15670 of 103542 (Search time: 0.012 seconds).