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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2019	TS-H6PtW6O24(3e_3H)	Lang, Zhongling	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	UM06	6-31G(D) 6-31G(D,P) LANL2DZ GEN	-2337.21884799; Eh
	12-Nov-2019	TS-4e-4H	Lang, Zhongling	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	UM06	6-31G(D) 6-31G(D,P) LANL2DZ GEN	-2337.81787444; Eh
	12-Nov-2019	TS-3e-3H	Lang, Zhongling	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	UM06	6-31G(D) 6-31G(D,P) LANL2DZ GEN	-2337.21884799; Eh
	24-Jun-2019	Hydride_transfer	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G* GENECP*	-1940.40828088; Eh
	24-Jun-2019	Mo-ts-12-13	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G* GENECP*	-2381.61995093; Eh
	24-Jun-2019	Mo-ts-7-8	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G* GENECP*	-2265.93782634; Eh
	24-Jun-2019	Mo-ts-14-15	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G* GENECP*	-1941.61009948; Eh
	22-Mar-2020	/B3LYP_BS1_optimized_structures ga_b3l_dmadtsa	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D,P) SDDALL GEN	-2967.02551553; Eh
	22-Mar-2020	/TPSSh_BS1_optimized_structures ga_tpssh_dmadtsa	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RTPSSh	6-31G(D,P) SDDALL GEN	-2967.09930923; Eh
	22-Mar-2020	/B3LYP_BS1_optimized_structures b3l_pha_ts1x	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D,P) SDDALL GEN	-2742.33476792; Eh

Results 1-10 of 145 (Search time: 0.001 seconds).