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Collection hits:

Collection Name
Metal-catalyzed PTSB

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Jul-2026	/Structure for truncated Ir-catalyzed entry 1 to entry 4 Ir-catalyzed entry1 TS1	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	b3lyp	DEF2SVP	-1708.59038077; Eh
	1-Jul-2026	/Structure for truncated Ir-catalyzed entry 1 to entry 4 Ir-catalyzed entry2 beta-lactone	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-1747.97232520; Eh
	1-Jul-2026	/Structure for truncated Ir-catalyzed entry 1 to entry 4 Ir-catalyzed entry3 beta-lactone	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-1861.19881606; Eh
	1-Jul-2026	/Structure for truncated Ir-catalyzed entry 1 to entry 4 Ir-catalyzed entry3 TS2	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	b3lyp	DEF2SVP	-1861.13912608; Eh
	1-Jul-2026	/Structure for truncated Ir-catalyzed entry 1 to entry 4 Ir-catalyzed entry2 TS2	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	b3lyp	DEF2SVP	-1747.90279698; Eh
	1-Jul-2026	/Structure for truncated Ir-catalyzed entry 1 to entry 4 Ir-catalyzed entry2 fragmentation	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-1747.93772051; Eh
	1-Jul-2026	/Structure for truncated Ir-catalyzed entry 1 to entry 4 Ir-catalyzed entry3 TS1	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	b3lyp	DEF2SVP	-1861.12090953; Eh
	1-Jul-2026	/Structure for truncated Ir-catalyzed entry 1 to entry 4 Ir-catalyzed entry2 reactant	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-1747.97232520; Eh
	1-Jul-2026	/Structure for truncated Ir-catalyzed entry 1 to entry 4 Ir-catalyzed entry2 TS1	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	b3lyp	DEF2SVP	-1747.88496987; Eh

Results 402301-402310 of 402373 (Search time: 0.235 seconds).