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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Jan-2024	TS4-5-meta	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GEN	-2922.2157257; Eh
	8-Jan-2024	TS4-5-para	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GEN	-2922.2098489; Eh
	8-Jan-2024	int5-meta	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GEN	-2922.2320539; Eh
	8-Jan-2024	int5-para	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GEN	-2922.2745167; Eh
	8-Jan-2024	int4-para	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GEN	-2922.2275651; Eh
	8-Jan-2024	int4-meta	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GEN	-2922.2508321; Eh
	25-Dec-2023	18-MECP_Sulf_1Ph_singlet-fw_F_ScanCO-TS-F_ScCO-TS-fw_ScanSO_0e1_	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2272.01770641; Eh
	25-Dec-2023	17-MECP_Sulf_1Ph_singlet-fw_F_ScanCO-TS-F_ScCO-TS-fw_ScanSO_1e8-	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2271.94965093; Eh
	25-Dec-2023	20-TS12_4Ph_proAz-Int-1_ScNC_2e6_bis-TS-3_bk-C2-F	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2271.86221840; Eh
	25-Dec-2023	22-TS12_4Ph_proAz-Int-1_ScNC_2e6_bis-TS-3_fw	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2271.90861438; Eh

Results 9001-9010 of 12869 (Search time: 0.007 seconds).