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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	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
	4-Jun-2018	10F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-802.593075963; Eh
	4-Jun-2018	17F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-2293.82125993; Eh
	4-Jun-2018	TS10-11F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-802.558120418; Eh
	4-Jun-2018	TS08-09F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-2007.56019224; Eh
	18-Mar-2019	Adduct_TBD	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-31+G**	-2044.23602411; Eh
	27-Sep-2021	SCO_M06L_S2_HS	Vidal, Daniel	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UM06L	DEF2TZVP	-4399.59704135; Eh

Results 1-10 of 221 (Search time: 0.002 seconds).