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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Feb-2024	ch3hcooo-sime3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-713.643422080; Eh
	26-Feb-2024	ch3hcooo-s-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-702.667897012; Eh
	26-Dec-2022	/mechanism_and_profile/I0 I0-AR-3-lowest	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1919.21681119; Eh
	26-Dec-2022	/Nu_attack_scans I11r-lowest	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-2511.00288693; Eh
	26-Dec-2022	/Nu_attack_scans I11s-lowest	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-2510.99833683; Eh
	26-Dec-2022	/mechanism_and_profile/I0 I0-AR-1	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1919.20906960; Eh
	26-Dec-2022	/mechanism_and_profile/I0 I0-AR-2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1919.21271625; Eh
	26-Dec-2022	/mechanism_and_profile/I0 I0-AR-1_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.8704643; Eh
	26-Dec-2022	/mechanism_and_profile/I0 I0-AR-2_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.8726177; Eh
	26-Dec-2022	/Nu_attack_scans I11s-lowest-2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	-	6-31G(D) LANL2DZ	-2510.99386198; Eh

Results 8351-8360 of 12919 (Search time: 0.007 seconds).