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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC (2a) ts3prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1930.73309502; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC (2a) ts4rop	Villar-Yanez, Alba	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	wb97xd	6-311G(D,P)	-2312.44645533; Eh
	13-May-2026	/6MCCs/CF₃ (2aj-2al)/CF₃_Biphen (2al) ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1966.42687541; Eh
	13-May-2026	/7MCCs/7MCC_KetoMe (3f) a2_ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2011.56736335; Eh
	13-May-2026	/Dimer Structures - Conformational Study/6MCC_Bicyc_OTMS (2ad) 6MCC-Bicyc_OTMS (2ad) - Center of cluster 3	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2390.19167413; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_DiPhOEt (2am) a2_ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-3312.73644788; Eh
	13-May-2026	/6MCCs/Bicyclic_Carbonates (2ac-2ai)/Bicyc_Phenyl_OTMS (2ah) ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-2038.32759937; Eh
	13-May-2026	/6MCCs/Bicyclic_Carbonates (2ac-2ai)/Bicyc-OH (2ac) a2_ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1398.58100821; Eh
	13-May-2026	/6MCCs TBD (1,5,7-triazabicyclo[4.4.0]dec-5-ene) catalyst	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-438.817656565; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC (2a) Trimer (2a)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1491.91023802; Eh

Results 7741-7750 of 103542 (Search time: 0.007 seconds).