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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Aug-2024	ebe_2e-N-co2	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	CC-PVDZ GEN	-2486.50484594; Eh
	2-Aug-2024	ebe_2e	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	CC-PVDZ GEN	-2297.93657489; Eh
	2-Aug-2024	ebe	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	CC-PVDZ GEN	-2297.75802968; Eh
	8-Nov-2024	05-TpBrCF3Ag-Int-III	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3325.03638788; Eh
	8-Nov-2024	10-TpF27Ag-Int-IIIfirst	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4641.24391027; Eh
	8-Nov-2024	07-TpF27-TS-II-III	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4710.09997360; Eh
	8-Nov-2024	08-TpF27-Int-II	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4710.10426820; Eh
	8-Nov-2024	09-TpF27Ag-Int-III	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4600.57478539; Eh
	8-Nov-2024	06-TpF27-Int-I	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4710.14324827; Eh
	8-Nov-2024	28-TpBr_3Ag_CHCO2Et_CH4_Ethoxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-1308.31185437; Eh

Results 181-190 of 12354 (Search time: 0.003 seconds).