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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
14-Nov-2020	32-TS1-3a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31G SDD GENECP*	-1560.78135974; Eh
14-Nov-2020	32-TS1-2b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31G SDD GENECP*	-1560.78286990; Eh
14-Nov-2020	9b-TS6-7a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G SDD GENECP*	-1448.57198018; Eh
14-Nov-2020	32-TS1-3b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31G SDD GENECP*	-1560.78034047; Eh
14-Nov-2020	32-TS3b-2b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31G SDD GENECP*	-1560.79723704; Eh
14-Nov-2020	32-TS3a-2a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31G SDD GENECP*	-1560.78909454; Eh
14-Nov-2020	32-TS1-2a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31G SDD GENECP*	-1560.78435382; Eh
14-Nov-2020	S27-TS1-3	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G SDD GENECP*	-1254.38026719; Eh
14-Nov-2020	9a-TS6-7b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G SDD GENECP*	-1448.56561761; Eh
14-Nov-2020	9a-TS6-7a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G SDD GENECP*	-1448.58026045; Eh

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