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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	C60CPH-65-Gd-P	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	UM062X	6-31G(D,P) SDD GENECP	-3245.24290569; Eh
	14-Aug-2024	C60CPH-65-Gd-TS	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization TS	UM062X	6-31G(D,P) SDD GENECP	-3245.17071632; Eh
	14-Aug-2024	C60CPH-66-Gd-P	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Single point Minimum	UM062X	6-31G(D,P) SDD GENECP	-3245.23258222; Eh
	8-Nov-2024	48-TpF27_Ag_C-Ph-CO2Et_CH4_Ethoxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4802.40648299; 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_ CN	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-92.9315492377; 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-PA	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1441.17255480; Eh
	29-Aug-2024	/NF-BM NF-BM-TS1	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-1441.15792398; Eh

Results 11651-11660 of 12948 (Search time: 0.008 seconds).