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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Aug-2025	TS(S7-III)-NHC	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2431.63977361; Eh
	30-Aug-2025	TS(III-S10)-NHC	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2431.63586468; Eh
	30-Aug-2025	TS(V-S3)-NHC	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2431.60068055; Eh
	30-Aug-2025	TS(V-S4)-NHC	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2431.59607740; Eh
	30-Aug-2025	TS(V-S2)-NHC	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2431.61601533; Eh
	19-Mar-2026	/AsMoW As01Mo01W02O13-3H-iso-4	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-5.24136599; Eh
	26-Feb-2025	/single_point_recalculations_Eel/T125 Mo05O16-2H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T125 Mo05O17-1H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T125 Mo05O17-0H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c3_216/Pd_Fe_N_din6_as_c3_216 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-633.78876111; eV

Results 81801-81810 of 104124 (Search time: 0.052 seconds).