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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Jul-2026	/Entry3N with iridium catalyst Reactant	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-1841.30382035; Eh
	1-Jul-2026	/No metal system entry3 Metal-free reactant	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-728.897128884; Eh
	1-Jul-2026	/Entry3N with iridium catalyst lactone	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-1841.34909856; Eh
	1-Jul-2026	/Entry3N with iridium catalyst TS1	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	b3lyp	DEF2SVP	-1841.27621848; Eh
	1-Jul-2026	/Entry3N with iridium catalyst TS2	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	b3lyp	DEF2SVP	-1841.29799225; Eh
	1-Jul-2026	/Entry3N with iridium catalyst half-frag	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-1841.32580977; Eh
	1-Jul-2026	/Entry3N with iridium catalyst TS3	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	b3lyp	DEF2SVP	-1841.31394155; Eh
	1-Jul-2026	/Entry3N with iridium catalyst Fragmentation	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-1841.31460521; Eh
	1-Jul-2026	/Entry3N with ruthenium catalyst Reactant	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-2817.72469426; Eh
	1-Jul-2026	/Entry3N with ruthenium catalyst TS1	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	b3lyp	DEF2SVP	-2817.68343262; Eh

Results 402361-402370 of 402373 (Search time: 0.241 seconds).