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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Dec-2023	/opt TS7	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-1352.49910589; Eh
	6-Dec-2023	/SinglePoint [Isomer_IV+CH3CO2H]+	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1353.8157744; Eh
	6-Dec-2023	/SinglePoint [Isomer_III+CH3CO2H]+	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1353.8084646; Eh
	6-Dec-2023	/SinglePoint [Isomer_Vd+CH3CO2H]+	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1353.7776093; Eh
	6-Dec-2023	/SinglePoint [Isomer_V+CH3CO2H]+	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1353.7722114; Eh
	8-Jan-2024	I-radical	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-295.7836004; Eh
	13-Feb-2023	/scan_ring_opening geom_51	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1918.72162160; Eh
	13-Feb-2023	/scan_ring_opening geom_73_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.3715227; Eh
	8-Jan-2024	TS2-10	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GEN	-2922.890914; Eh
	8-Jan-2024	int10	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GEN	-2922.896627; Eh

Results 1581-1590 of 12354 (Search time: 0.004 seconds).