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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	70-Rh2-Ac4-CHCO2Et-CH4_Ethoxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) LANL2DZ GEN	-1480.15634442; Eh
	8-Nov-2024	72-Rh2-Ac4-CHCO2Et-CH4_Oxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) LANL2DZ GEN	-1480.15773763; Eh
	8-Nov-2024	71-Rh2-Ac4-CHCO2Et-CH4_Ethoxy_TS	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Structure	RB3LYP	6-31G(D,P) LANL2DZ GEN	-1480.14440304; Eh
	8-Nov-2024	73-Rh2-Ac4-CHCO2Et-CH4_Oxy_TS	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Structure	RB3LYP	6-31G(D,P) LANL2DZ GEN	-1480.14576603; Eh
	8-Nov-2024	44-TpBrCF3_2Ag_C-Ph-CO2Et_CH4_Ethoxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3486.20474477; Eh
	8-Nov-2024	42-TpBr_3Ag_C-Ph-CO2Et_CH4_Oxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-1539.41992062; Eh
	8-Nov-2024	41-TpBr_3Ag_C-Ph-CO2Et_CH4_Ethoxy_TS	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-1539.38763928; Eh
	8-Nov-2024	43-TpBr_3Ag_C-Ph-CO2Et_CH4_Oxy_TS	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-1539.38908573; Eh
	29-Aug-2024	/DT-BM DT-BM-PA	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1672.35262982; Eh
	29-Aug-2024	/DT-BM NF-BM-P2	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1135.01737740; Eh

Results 11411-11420 of 12842 (Search time: 0.008 seconds).