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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Jul-2026	/Structure for truncated Ru-catalyzed entry 1 to entry 4 Ru-catalyzed entry4 TS2	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	b3lyp	DEF2SVP	-2375.47275123; Eh
	1-Jul-2026	/Structure for truncated Ru-catalyzed entry 1 to entry 4 Ru-catalyzed entry4 fragmentation	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-2375.51466885; Eh
	1-Jul-2026	/Structure for truncated Ru-catalyzed entry 1 to entry 4 Ru-catalyzed entry4 TS1	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	b3lyp	DEF2SVP	-2375.46252071; Eh
	1-Jul-2026	/Amide system with ruthenium catalyst. 4mem_1_half_frag	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-2896.09803896; Eh
	1-Jul-2026	/Amide system with ruthenium catalyst. 4mem_1_beta_lactone	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-2896.13887688; Eh
	1-Jul-2026	/Amide system with ruthenium catalyst. 4mem_1_reactant	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-2896.10477386; Eh
	1-Jul-2026	/Amide system with ruthenium catalyst. 4mem_1_TS1	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	b3lyp	DEF2SVP	-2896.06823804; Eh
	1-Jul-2026	/Amide system with ruthenium catalyst. 4mem_1_TS2	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	b3lyp	DEF2SVP	-2896.07964165; Eh
	1-Jul-2026	/Amide system with ruthenium catalyst. 4mem_1_half_frag_2	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-2896.10477386; Eh
	1-Jul-2026	/Amide system with ruthenium catalyst. 4mem_1_fragmentation	Cao, Yumeng	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	b3lyp	DEF2SVP	-2896.09033111; Eh

Results 402331-402340 of 402373 (Search time: 0.266 seconds).