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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	23-TpF27Ag_C-pCF3Ph-CO2CH2CF3	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-5396.61077596; Eh
	8-Nov-2024	25-TpBr_3Ag_C-Ph-CO2Et	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-1498.88730986; Eh
	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
	12-Nov-2024	/Radical-Radical_coupling_ INT_CN	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-673.548777764; Eh
	12-Nov-2024	/Radical-Radical_coupling_ reac_CN	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-766.466823842; Eh
	12-Nov-2024	/Radical-Radical_coupling_ TS_CN	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G(D) GEN	-766.452077722; Eh
	12-Nov-2024	/Radical-Radical_coupling_ CN	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-92.9315492377; Eh
	29-Aug-2024	/NF-SOL NF-SOL-Comp	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-661.449801069; Eh
	29-Aug-2024	/NF-SOL NF-SOL-INT	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1209.53951883; Eh
	29-Aug-2024	/NF-SOL NF-SOL-P2	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-903.852683385; Eh

Results 11531-11540 of 12842 (Search time: 0.009 seconds).