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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2024	24-TpF27Ag_C-Ph-CO2Et	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4761.87262562; Eh
	8-Nov-2024	10-TSPrim-EthOxyB	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3333.73915506; Eh
	8-Nov-2024	12-TSSec-OxyB	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3333.73471104; Eh
	8-Nov-2024	11-TSSec-OxyA	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3333.73463584; Eh
	29-Aug-2024	/DT-BM DT-BM-RA2	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1672.35041598; Eh
	29-Aug-2024	/DT-BM DT-BM-INT	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1672.34538350; Eh
	29-Aug-2024	/DT-BM DT-BM-RA1	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-893.083780922; Eh
	29-Aug-2024	/DT-BM DT-BM-TS1	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	CC-PVTZ	-1672.33928354; Eh
	29-Aug-2024	/DT-BM DT-BM-TS2	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	CC-PVTZ	-1672.32716685; Eh
	29-Aug-2024	/DT-BM NF-BM-R1	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-432.226528694; Eh

Results 11571-11580 of 12948 (Search time: 0.01 seconds).