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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/From6RingTo5/Al_Cat/CO2_Insertion/TS_Insertion/After After	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2215.50824931; Eh
	1-Dec-2017	/Racemization/From6RingTo5/Al_Cat/No_CO2/Scan_Alter Scan_Alter	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-2026.33463047; Eh
	1-Dec-2017	/Racemization/From6RingTo5/Al_Cat/No_CO2/FC_Alter FC_Alter	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.92621103; Eh
	1-Dec-2017	/Racemization/From6RingTo5/Al_Cat/No_CO2/Scan/Zoom Zoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.90155024; Eh
	1-Dec-2017	/Racemization/From6RingTo5/Al_Cat/No_CO2/FC_H FC_H	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.94080460; Eh
	1-Dec-2017	/Racemization/From6RingTo5/Al_Cat/No_CO2/Scan Scan	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.49527700; Eh
	1-Dec-2017	/Racemization/From6RingTo5/Product_6 Product_6	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.926107755; Eh
	1-Dec-2017	/Racemization/BnNH3 BnNH3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-327.364025657; Eh
	1-Dec-2017	/Racemization/Scan2 Scan2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-456.248261164; Eh
	1-Dec-2017	/NMR_IR/NMR/B3LYP/OH/IC/Rot_4 9	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-1838.93183561; Eh

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