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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_6311dp TS2WW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-311++G(D,P)	-712.519524070; Eh
	24-Feb-2020	/PaperStructures/Solvation/b3lyp/solution TS2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-559.563968031; Eh
	24-Feb-2020	/PaperStructures/Solvation/b3lyp/solution TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-849.998025454; Eh
	24-Feb-2020	/PaperStructures/Solvation/b3lyp/solution TS2WW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-712.566653188; Eh
	24-Feb-2020	/PaperStructures/Solvation/b3lyp/solution TS2W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-636.067008258; Eh
	24-Feb-2020	/PaperStructures/Solvation/b3lyp/solution TS2N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-773.501454343; Eh
	24-Feb-2020	/PaperStructures/TS TS1	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-559.581410801; Eh
	24-Feb-2020	/PaperStructures/TS TS1W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-636.091079011; Eh
	24-Feb-2020	/PaperStructures/TS TS2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-559.563968031; Eh
	24-Feb-2020	/PaperStructures/TS TS2W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-636.067008258; Eh

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