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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Aug-2024	Gd3+@C60	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	UM062X	6-31G(D,P) SDD GENECP	-3050.15205333; Eh
	14-Aug-2024	La3+@C60	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D,P) SDD GENECP	-2719.91179125; Eh
	14-Aug-2024	Gd@C60	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	UM062X	6-31G(D,P) SDD GENECP	-3051.17571781; Eh
	8-Nov-2024	78-Rh2-Ac4-C-pCF3Ph-CO2CH2CF3-CH4_Ethoxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) LANL2DZ GEN	-2346.00613826; Eh
	8-Nov-2024	79-Rh2-Ac4-C-pCF3Ph-CO2CH2CF3-CH4_Ethoxy_TS	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Structure	RB3LYP	6-31G(D,P) LANL2DZ GEN	-2345.97546787; Eh
	8-Nov-2024	81-Rh2-Ac4-C-pCF3Ph-CO2CH2CF3-CH4_Oxy_TS	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	6-31G(D,P) LANL2DZ GEN	-2345.97313421; Eh
	8-Nov-2024	76-Rh2-Ac4-C-Ph-CO2Et-CH4_Oxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) LANL2DZ GEN	-1711.25974857; Eh
	8-Nov-2024	77-Rh2-Ac4-C-Ph-CO2Et-CH4_Oxy_TS	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	6-31G(D,P) LANL2DZ GEN	-1711.22145924; Eh
	8-Nov-2024	82-Rh2-Ac4-CHCF3-CH4_Int-I	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) LANL2DZ GEN	-1549.97883621; Eh
	14-Aug-2024	C60CPH-65-Gd-P	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	UM062X	6-31G(D,P) SDD GENECP	-3245.24290569; Eh

Results 11351-11360 of 12842 (Search time: 0.008 seconds).