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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Feb-2023	/scan_ring_opening geom_39_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.3960525; Eh
	13-Feb-2023	/scan_ring_opening geom_20_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.3959045; Eh
	13-Feb-2023	/scan_ring_opening geom_24_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.395839; Eh
	13-Feb-2023	/scan_ring_opening geom_41_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.3955909; Eh
	25-Dec-2023	02-TS12_1Ph_proAz-TS-F-bk	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2271.86024937; Eh
	25-Dec-2023	04-TS12_1Ph_proAz-TS-F-fw	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2271.88877135; Eh
	25-Dec-2023	03-TS12_1Ph_proAz-TS-F	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2271.85192885; Eh
	25-Dec-2023	00-TpBrCu_NTs	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-1886.00944479; Eh
	25-Dec-2023	01-Sub_1Ph_Enyne	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-385.825947887; Eh
	25-Dec-2023	35-MECP_Sulf_4Ph_singlet-fw_COFrozen_ScCO_prod_ScSO_2e0-TS-C-F2-	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2272.01379074; Eh

Results 1521-1530 of 12354 (Search time: 0.004 seconds).