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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jul-2024	TSC2a	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1496.88745143; Eh
	28-Aug-2024	AFtskcn4attack_scan936_12	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.48120774; Eh
	28-Aug-2024	AFtskcn4attack_scan936_1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.49944507; Eh
	29-Jul-2024	TSB3d	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1305.15705642; Eh
	11-Sep-2024	TS(Ia-IIa)	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	SDD 6-31G(D,P) GENECP	-4899.42715477; Eh
	11-Sep-2024	TS(Ia-Ia´)	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	SDD 6-31G(D,P) GENECP	-4899.40990599; Eh
	11-Sep-2024	SI10	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D,P) GENECP	-4899.44113960; Eh
	11-Sep-2024	SI9	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D,P) GENECP	-4899.43512570; Eh
	28-Aug-2024	AFtskcn4attack_scan1561_5	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.49438809; Eh
	29-Jul-2024	TSB2biso_OtherSide	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-1305.14281305; Eh

Results 821-830 of 100136 (Search time: 0.003 seconds).