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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Mar-2020	/M062X_BS1_optimized_structures m062_pha_ts1a	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM062X	6-31G(D,P) SDDALL GEN	-2741.18617562; Eh
	22-Mar-2020	/M06_BS1_optimized_structures m06_pha_ts1a	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31G(D,P) SDDALL GEN	-2741.23843178; Eh
	22-Mar-2020	/PBE1PBE_BS1_optimized_structures ga_p0_dmadtsa	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2964.95140791; Eh
	22-Mar-2020	/PBE1PBE_BS1_optimized_structures fp_pha_ts1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2740.47677884; Eh
	29-Mar-2020	TS2-noAsPh3	Garcia Melchor, Max	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-11051.5121270; Eh
	29-Mar-2020	TS1-noAsPh3	Garcia Melchor, Max	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-11051.5009392; Eh
	27-Aug-2019	Mo-ts-14-15	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G* GENECP*	-2381.62157068; Eh
	22-Mar-2020	/M06L_BS1_optimized_structures ga_m06l_dmadtsarr	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06L	6-31G(D,P) SDDALL GEN	-2966.95081031; Eh
	22-Mar-2020	/M06L_BS1_optimized_structures m06l_pha_ts1a	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06L	6-31G(D,P) SDDALL GEN	-2742.27443030; Eh
	22-Mar-2020	/wB97XD_BS1_optimized_structures ga_W_dmadtsa	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) SDDALL GEN	-2966.62128452; Eh

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