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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Feb-2024	br-ch3-aupme3-ch3	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G SDD GENECP*	-689.990949335; Eh
	26-Feb-2024	ch3c6h4ome-br-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-399.407916786; Eh
	26-Feb-2024	ch3nc5h5-br-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-301.432867727; Eh
	13-Feb-2023	/scan_ring_opening geom_87	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1918.70389186; Eh
	13-Feb-2023	/scan_ring_opening geom_87_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.3765667; Eh
	13-Feb-2023	/scan_ring_opening geom_77	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1918.70180673; Eh
	13-Feb-2023	/scan_ring_opening geom_67_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.3714107; Eh
	13-Feb-2023	/scan_ring_opening geom_53	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1918.71923205; Eh
	7-Mar-2024	I4-2-S	Díaz Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	DEF2TZVP	-3041.3156483; Eh
	7-Mar-2024	TS6-7-S	Díaz Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	DEF2SVP	-2511.70941731; Eh

Results 8691-8700 of 12869 (Search time: 0.008 seconds).