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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	05-TpBrCF3Ag-Int-III	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3325.03638788; Eh
	14-Aug-2024	C60CPH-66-La-TS	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization TS	UM062X	6-31G(D,P) SDD GENECP	-2914.91866494; Eh
	14-Aug-2024	La@C60	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	UM062X	6-31G(D,P) SDD GENECP	-2720.91866673; 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
	8-Nov-2024	13-TSSec-EthOxyA	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Structure	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3333.73967995; 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-P2	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-903.852683385; Eh
	29-Aug-2024	/NF-SOL NF-SOL-RA	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1209.52964459; Eh

Results 11691-11700 of 12948 (Search time: 0.01 seconds).