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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2019	/Solv_Opt/M06_2x/TS2 TS2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311G**	-1690.50361890; Eh
	30-Jan-2019	/Solv_Opt/wB97XD/TS_isom TS_isom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G**	-1690.95828039; Eh
	30-Jan-2019	/Solv_Opt/wB97XD/TS1 TS1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G**	-1502.36363016; Eh
	30-Jan-2019	/Solv_Opt/wB97XD/TS2 TS2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G**	-1690.95801828; Eh
	30-Jan-2019	/Solv_Opt/wB97XD/TS3 TS3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G**	-1690.95469869; Eh
	30-Jan-2019	/Solv_Opt/B3LYP/TS1 TS1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-311G**	-1502.73921091; Eh
	30-Jan-2019	/Solv_Opt/B97D3/TS2 TS2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-1690.66618534; Eh
	30-Jan-2019	/Solv_Opt/B3LYP/TS3 TS3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-311G**	-1691.38672781; Eh
	30-Jan-2019	/Solv_Opt/B3LYP/TS_isom TS_isom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-311G**	-1691.38679517; Eh
	30-Jan-2019	/Solv_Opt/B3LYP/TS2 TS2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-311G**	-1691.38376731; Eh

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