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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jun-2019	Mo-9b-alt1	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	-	6-31+G**	-1979.74036353; Eh
	18-Mar-2019	Deprotonation_with_tertbutyl-methylphenol	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-910.376263463; Eh
	24-Jun-2019	Mo-5-1atm	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RM06	6-31+G* GENECP*	-1825.95569643; Eh
	24-Jun-2019	Mo-ts-6-7-alt1	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RM06	6-31+G* GENECP*	-2265.92826980; Eh
	24-Jun-2019	Mo-3-1atm	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RM06	6-31+G* GENECP*	-1824.75926830; Eh
	24-Jun-2019	Proton_transfer	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RM06	6-31+G* GENECP*	-1940.43500138; Eh
	19-Mar-2021	NaFe-1TMP-partial-diss_TS1	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2712.22227836; Eh
	19-Mar-2021	Na2Fe2-1TMP+2TMP-3HMDS	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	-	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D)	-4494.82088898; Eh
	19-Mar-2021	NaFe-1TMP-Toluene_TS2	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2983.73262462; Eh
	18-Mar-2019	Adduct_TBD	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-2044.23602411; Eh

Results 1-10 of 10 (Search time: 0.002 seconds).