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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-fenilomeconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-774.3693277; Eh
	9-Nov-2018	/vacuum/complexes h2sfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-976.701445898; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-408.1956668; Eh
	9-Nov-2018	/vacuum/complexes h2sfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1443.50748726; Eh
	9-Nov-2018	/noDisp/complexes sin-shrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2089.0745384; Eh
	5-Nov-2018	_Pt1_t	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-168.88440110; eV
	5-Nov-2018	_Pt_bridge	Fako, Edvin	vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex	Single point	DFT	-	-170.21584640; eV
	5-Nov-2018	_F_hollow	Fako, Edvin	vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex	Single point	DFT	-	-
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_NO2_Cpstar_II_III TS_NO2_Cpstar_II_III_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1408.5041016; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilomeauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-825.1253962; Eh

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