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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2017	/Racemization/Scan_H/TS_FAIL TS_FAIL	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-783.832304928; Eh
	1-Dec-2017	/Racemization/TS_Rac/Freq Freq	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-456.264743798; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/FC/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1679.387593; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/CC/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-499.6520499; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Int2_l/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1690.9488795; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Int2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1690.9475723; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/IC/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1490.7802481; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Int1/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1502.3602408; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Reactants/Cat/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1179.6893983; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Reactants/Epoxyhexane/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-311.0392238; Eh

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