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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2018	1_R	Fernández, Víctor	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RM06	lanl2dz; 6-31+g(d)	-1011.53613937; Eh
	8-Nov-2018	/water/complexes aq-xeyh2o5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-435.7593212; Eh
	8-Nov-2018	/water/complexes aq-xewco5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-649.4419664; Eh
	8-Nov-2018	/water/complexes aq-xenbnh24_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-296.3192615; Eh
	8-Nov-2018	/water/complexes aq-xek_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-43.7977133; Eh
	8-Nov-2018	/water/complexes aq-xerush4_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1705.722661; Eh
	28-Jan-2019	Red_H12C12O2Si	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-904.556883341; Eh
	28-Jan-2019	Red_H12C12OSi	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-829.253683779; Eh
	28-Jan-2019	Red_I5	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1864.31632491; Eh
	28-Jan-2019	Red_T6	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1864.28402882; Eh

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