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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_59_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.3776194; Eh
	13-Feb-2023	/scan_ring_opening geom_57_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.3796929; Eh
	13-Feb-2023	/scan_ring_opening geom_36_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-1919.3957068; Eh
	25-Dec-2023	38-TS12_1Ph_proAz-C2-ROT-TS-fw	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2271.88504941; Eh
	25-Dec-2023	39-MECP_Az-1Ph-2C-triplet-bk	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2271.88523969; Eh
	25-Dec-2023	40-MECP_Az-1Ph-2C-triplet	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2271.88235118; Eh
	25-Dec-2023	09-TS12_1Ph_proSulf-Int-1_Frozen-FreeC-clean_ScanNC-TS2e3-Free_S	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2271.86346463; Eh
	25-Dec-2023	10-TS12_1Ph_proSulf-Int-1_Frozen-FreeC-clean_ScanNC-TS2e3-Free_S	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2271.86189031; Eh
	25-Dec-2023	05-TS12_1Ph_proAz-TS-F-fw_singlet_Int3-C2	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2271.91412548; Eh
	25-Dec-2023	08-MECP_Az_1Ph_singlet-fw-F2-C-F	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2271.88924733; Eh

Results 1631-1640 of 12354 (Search time: 0.005 seconds).