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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water//water complexes aq-cnalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1716.2931933; Eh
	9-Nov-2018	/water//water complexes aq-clpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1275.1162062; Eh
	16-Jan-2026	/FG_dataset/group2/ni/111 ni-3611-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-307.58788245; eV
	9-Nov-2018	/water//water complexes aq-clfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1504.6749165; Eh
	9-Nov-2018	/water//water complexes aq-ch3-znch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-306.9892449; Eh
	9-Nov-2018	/water//water complexes aq-clmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-790.1659647; Eh
	9-Nov-2018	/water//water complexes aq-cncro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-405.7504436; Eh
	9-Nov-2018	/water//water complexes aq-cnmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-422.7747283; Eh
	9-Nov-2018	/water//water complexes aq-clticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1899.4017321; Eh
	12-Apr-2021	/UO2(O2)3 K-Cs	Bo, Carles	ADF; 2010; 01	Geometry optimization	BP86	TZP; DZP	-1484.12878334; eV

Results 14251-14260 of 104583 (Search time: 0.01 seconds).