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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Oct-2018	c_11	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g(d)	-2876.55174011; Eh
	15-Oct-2018	7_1	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+g(d)	-1304.77994527; Eh
	2-Aug-2018	MDsnap_mono_4800	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2215.70861748; eV
	2-Aug-2018	MDsnap_mono_4880	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2217.80424694; eV
	8-Nov-2018	/water/complexes aq-nh3feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-633.9064967; Eh
	8-Nov-2018	/water/complexes aq-nh3fecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1100.846139; Eh
	8-Nov-2018	/water/complexes aq-nh3ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-960.5603221; Eh
	8-Nov-2018	/water/complexes aq-nh3mosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1321.0946113; Eh
	8-Nov-2018	/water/complexes aq-nhcconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-654.5960608; Eh
	8-Nov-2018	/water/complexes aq-nh3fecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1561.4765577; Eh

Results 14181-14190 of 103542 (Search time: 0.023 seconds).