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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	21-TpBrCF3_2Ag_C-Ph-CO2Et	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3445.67411274; Eh
	8-Nov-2024	20-TpBrCF3_2Ag_CHCF3	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3284.37200683; Eh
	29-Aug-2024	/DT-BM DT-BM-RA2	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1672.35041598; Eh
	29-Aug-2024	/DT-BM DT-BM-INT	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1672.34538350; Eh
	29-Aug-2024	/DT-BM DT-BM-RA1	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-893.083780922; Eh
	29-Aug-2024	/DT-BM DT-BM-TS1	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	CC-PVTZ	-1672.33928354; Eh
	29-Aug-2024	/NF-SOL NF-SOL-R2	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-548.076160296; Eh
	29-Aug-2024	/NF-SOL NF-SOL-P1	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-76.4670027177; Eh
	14-Aug-2024	C60CPH-65-La3+-Int	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D,P) SDD GENECP	-2913.98791070; Eh
	14-Aug-2024	C60CPH-65-La3+-P	Cui, Chengxing	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RM062X	6-31G(D,P) SDD GENECP	-2913.97326011; Eh

Results 11371-11380 of 12842 (Search time: 0.009 seconds).