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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	/5MCCs/5MCC (1a) ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1127.98709277; Eh
	13-May-2026	/7MCCs/7MCC (3a) Pentamer (3a)	Villar-Yanez, Alba	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2451.92686651; Eh
	13-May-2026	/Dimer Structures - Conformational Study/6MCC_Bicyc_OTMS (2ad) 6MCC-Bicyc_OTMS (2ad) - Center of cluster 4	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2390.18755051; Eh
	13-May-2026	/Dimer Structures - Conformational Study/6MCC_Cl (2v) 6MCC-Cl (2v) - Center of cluster 4	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2029.42025459; Eh
	13-May-2026	/6MCCs/Bicyclic_Carbonates (2ac-2ai)/Bicyc_DiMethyl_OTMS (2ag) Polymer (2ag)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2547.44827600; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_DiMethyl_SS (2h) a2_ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1706.31189252; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_Vinyl (2t) ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1703.77908731; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_OTs (2q) a1_ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-3337.30982181; Eh
	13-May-2026	/7MCCs/7MCC_KetoMe (3f) a1_ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1398.58067661; Eh
	13-May-2026	/7MCCs/7MCC (3a) a2_ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1206.62103562; Eh

Results 7581-7590 of 103542 (Search time: 0.007 seconds).