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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Aug-2024	SP_c120cn_3	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311+G(D,P)	-
	11-Sep-2024	IIIc	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	SDD 6-31G(D,P) GENECP	-1175.62406095; Eh
	11-Sep-2024	IVc	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	SDD 6-31G(D,P) GENECP	-1175.62599506; Eh
	11-Sep-2024	Vc	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	SDD 6-31G(D,P) GENECP	-1175.65990535; Eh
	28-Aug-2024	AFtskcn4attack_scan936_4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.49801850; Eh
	29-Jul-2024	TSB6biso_2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1116.55925833; Eh
	28-Aug-2024	AFtskcn4attack_scan1561_1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.49943264; Eh
	11-Sep-2024	TS(VII-VIIIb)	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G LANL2DZ GENECP*	-1225.77255137; Eh
	11-Sep-2024	TS(VII-VIIIc)	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G LANL2DZ GENECP*	-1225.77293538; Eh
	6-Sep-2024	/M06L/W W10O32-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-

Results 1191-1200 of 100138 (Search time: 0.006 seconds).