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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Mar-2019	Deprotonation_ax_with_Methyl_formanilide	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-842.094823435; Eh
	18-Mar-2019	TBD_assisted_deprotonation_and_CN_cleavage	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-1071.29653383; Eh
	18-Mar-2019	Diphenylamide	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-631.568673208; Eh
	24-Jun-2019	Mo-3	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-1824.75926830; Eh
	24-Jun-2019	Mo-5	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-1825.95569644; Eh
	24-Jun-2019	Mo-5-alt1	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-1825.95385541; Eh
	24-Jun-2019	Mo-9b	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-1979.75973133; Eh
	24-Jun-2019	Mo-ts-9-14	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G* GENECP*	-1940.43939441; Eh
	24-Jun-2019	Mo-ts-14-15-Li	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-1786.86313790; Eh
	24-Jun-2019	Mo-ts-6-7-Li	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-2111.18456772; Eh

Results 71-80 of 484 (Search time: 0.002 seconds).