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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Aug-2024	/NF-BM NF-BM-RA2	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1441.16962704; Eh
	29-Aug-2024	/DT-BM DT-BM-Comp	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1786.21147316; Eh
	29-Aug-2024	/NF-BM NF-BM-RA1	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-893.083212676; Eh
	29-Aug-2024	/NF-BM NF-BM-TS2	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-1441.14862226; Eh
	8-Nov-2024	80-Rh2-Ac4-C-pCF3Ph-CO2CH2CF3-CH4_Oxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) LANL2DZ GEN	-2346.00535394; 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	83-Rh2-Ac4-CHCF3-CH4_TS	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Structure	RB3LYP	6-31G(D,P) LANL2DZ GEN	-1549.96795377; 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	55-TpBr_3Ag_C-pC6H4-CF3-CO2CH2CF3_CH4_Oxy_TS	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2174.13776125; Eh
	8-Nov-2024	64-TpBr_3Ag_CHCF3_CH4_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-1378.12409095; Eh

Results 11471-11480 of 12842 (Search time: 0.009 seconds).