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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 TS1NW_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	CC-PVTZ	-848.868970664; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/TS TS2WW_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	CC-PVTZ	-711.648793630; Eh
	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
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/TS TS1N_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	CC-PVTZ	-772.461322317; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/TS TS2W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	CC-PVTZ	-635.232162501; 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
	5-Feb-2019	I5-Au	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-964.574648983; Eh

Results 1371-1380 of 104079 (Search time: 0.004 seconds).