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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Dec-2022	/mechanism_and_profile/TS4 TS4r-1-lowest_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-2883.4989871; Eh
	26-Dec-2022	/mechanism_and_profile/TS4 TS4r-2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2882.56996084; Eh
	26-Dec-2022	/other_bases/TEA TEA-proS-4-lowest	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2803.94353624; Eh
	26-Dec-2022	/mechanism_and_profile/I0 I0-AS-2-lowest	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1919.21732421; Eh
	26-Dec-2022	/mechanism_and_profile/I0 I0-AS-1	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1919.21377878; Eh
	26-Dec-2022	/mechanism_and_profile/I0 I0-AR-4_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.8721016; Eh
	26-Dec-2022	/mechanism_and_profile/I0 I0-AS-1_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.8748351; Eh
	26-Dec-2022	/other_bases/TEA TEA-proS-3_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-2804.8393945; Eh
	7-Mar-2023	TS_XI-XII	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Structure	UB3LYP	6-31G(D,P) SDD GEN	-1365.26130788; Eh
	7-Mar-2023	Int-XIII	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1441.77121707; Eh

Results 9201-9210 of 12842 (Search time: 0.007 seconds).