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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-fenilomecro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-658.978603; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1154.0472538; Eh
	9-Nov-2018	/noDisp/complexes sin-shfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-976.1982751; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-430.562074; Eh
	9-Nov-2018	/noDisp/complexes sin-shticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1837.9539388; Eh
	9-Nov-2018	/vacuum/complexes h2sk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-427.553162955; Eh
	9-Nov-2018	/noDisp/complexes sin-scnniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1005.2273029; Eh
	5-Nov-2018	_Pt1_h	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-168.30504947; eV
	5-Nov-2018	_OH_bridge	Fako, Edvin	vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex	Single point	DFT	-	-182.34812237; eV
	5-Nov-2018	_CN_top	Fako, Edvin	vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex	Single point	DFT	-	-196.12260994; eV

Results 15161-15170 of 104583 (Search time: 0.011 seconds).