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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/M06L/W W12O42-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	28-Aug-2024	AFtskcn4attack_scan1561_12_FREQ	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.47457369; Eh
	28-Aug-2024	AFtskcn4attack_scan1561_11	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.47791160; Eh
	28-Aug-2024	AFtskcn4attack_scan1561_12	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.47457405; Eh
	29-Jul-2024	TSB11biso_reprot	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-1345.25464488; Eh
	29-Jul-2024	TSB10biso-Ph2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1116.51778419; Eh
	29-Jul-2024	TSB10biso-Ph	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1116.59077522; Eh
	11-Sep-2024	TS(VII-VIIIa)	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G LANL2DZ GENECP*	-1225.78548706; Eh
	29-Jul-2024	TSA2aiso_OtherSide	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1321.12159214; Eh
	29-Jul-2024	TSA2aiso	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1321.12366194; Eh

Results 121-130 of 100134 (Search time: 0.003 seconds).