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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Jul-2026	/Amide system with ruthenium catalyst. 4mem_2_reactant	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-2896.08905264; Eh
	1-Jul-2026	/Amide system with ruthenium catalyst. 5mem_reactant	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-2896.09100813; Eh
	1-Jul-2026	/Amide system with ruthenium catalyst. 4mem_2_product	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-2896.14087854; Eh
	1-Jul-2026	/Amide system with ruthenium catalyst. 5mem_product	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-2896.16269440; Eh
	1-Jul-2026	/Amide system with ruthenium catalyst. 4mem_1_TS3	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	b3lyp	DEF2SVP	-2896.08940755; Eh
	1-Jul-2026	/Amide system with ruthenium catalyst. 4mem_2_TS1	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	b3lyp	DEF2SVP	-2896.05084775; Eh
	1-Jul-2026	/Amide system with ruthenium catalyst. 5mem_TS1	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	b3lyp	DEF2SVP	-2896.06787121; Eh
	1-Jul-2026	/Untruncated catalyst models for entry 1 Untruncated Ir-catalyzed entry 1 beta-lactone	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-2789.52278022; Eh
	1-Jul-2026	/Structure for truncated Ir-catalyzed entry 1 to entry 4 Ir-catalyzed entry4 fragmentation	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp; nosymm	DEF2SVP	-1399.10870697; Eh
	1-Jul-2026	/Structure for truncated Ir-catalyzed entry 1 to entry 4 Ir-catalyzed entry4 beta-lactone	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-1399.14502150; Eh

Results 402341-402350 of 402373 (Search time: 0.251 seconds).