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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/Profiles/PBEPBE/TS TS2NW_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	CC-PVTZ	-848.850284638; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/TS TS2N_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	CC-PVTZ	-772.444449078; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/TS TS1WW_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	CC-PVTZ	-711.663536498; Eh
	5-Feb-2019	TS-I1-I2-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	SDD; 6-31+G(d,p)	-1065.05063153; Eh
	5-Feb-2019	I7-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	SDD	-170.067594014; Eh
	31-Jul-2015	/Aniline/Catalyzed/TBD/TS2_opt TS2-opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	-	-1107.80702412; Eh
	31-Jul-2015	/Aniline/Catalyzed/TBD/TS1 TS1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	-	-1107.78721681; Eh
	5-Feb-2019	I1-Au	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-811.011314609; Eh
	31-Jul-2015	/Aniline/Catalyzed/TBD/TS2_freq TS2-freq	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	-	-1107.80702412; Eh
	31-Jul-2015	/Aniline/Catalyzed/TBD/Final_Product Final-Product	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	-	-669.107612504; Eh

Results 17961-17970 of 104512 (Search time: 0.01 seconds).