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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Nov-2018	_H_3_5	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-170.96504577; eV
	5-Nov-2018	_CN_1	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-183.90663863; eV
	5-Nov-2018	_OH_2_5	Fako, Edvin	vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex	Single point	DFT	-	-
	9-Nov-2018	/noDisp/complexes sin-spdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1213.0846214; Eh
	9-Nov-2018	/noDisp/complexes sin-snbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-679.2043732; Eh
	9-Nov-2018	/noDisp/complexes sin-smosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1662.9937427; Eh
	9-Nov-2018	/noDisp/complexes sin-soso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-714.5819608; Eh
	5-Nov-2018	_OH_j1_5	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-177.70487843; eV
	5-Nov-2018	_OH_j4	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-177.36872611; eV
	5-Nov-2018	_OH_j5	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-177.33401497; eV

Results 23441-23450 of 103928 (Search time: 0.013 seconds).