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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Oct-2023	/Single_Point IV_c5_SP	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.5771458; Eh
	26-Feb-2024	ch3h2o-br-ts_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-129.523686302; Eh
	26-Feb-2024	ch3ph3-br-ts_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-396.236651377; Eh
	13-Feb-2023	/scan_ring_opening geom_99	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1918.70613585; Eh
	13-Feb-2023	/scan_ring_opening geom_89	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1918.70433941; Eh
	13-Feb-2023	/scan_ring_opening geom_99_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.378765; Eh
	13-Feb-2023	/scan_ring_opening geom_73	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1918.70215933; Eh
	13-Feb-2023	/scan_ring_opening geom_12_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.3970133; Eh
	13-Feb-2023	/scan_ring_opening geom_08_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.3980727; Eh
	7-Mar-2024	I4-S	Díaz Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	DEF2TZVP	-3905.8124343; Eh

Results 8841-8850 of 12869 (Search time: 0.007 seconds).