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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Jan-2020	/G09/UO2_OH_xH2O/UO2_2H2O UO2_2H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GEN*	-856.230792229; Eh
	15-Jan-2020	/G09/UO2_H2Ox/UO2_5H2O UO2_5H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GEN*	-1009.53145877; Eh
	5-May-2020	XPS-6L-red-O-1s-413	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1931.65459299; eV
	15-Jan-2020	/ADF/Expansion_Dataset/2A 2A	Petrus, Enric	ADF; 2016	Geometry optimization	BP86	TZP	-
	18-Feb-2021	/BenzylAlcohol Carbonate	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-670.534679674; Eh
	30-Jun-2020	i461205	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-191.54096424; eV
	5-May-2020	XPS-SY-red-O-1s-353	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1575.10613436; eV
	5-May-2020	XPS-6L-red-O-1s-414	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1932.51749110; eV
	5-May-2020	XPS-SY-red-O-1s-357	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1575.86609160; eV
	5-May-2020	XPS-SY-red-O-1s-355	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1575.99755830; eV

Results 20981-20990 of 103542 (Search time: 0.013 seconds).