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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_C=C (1d) ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1166.06957012; Eh
	13-May-2026	/Dimer Structures - Conformational Study/5MCC_KetoPh (1c) 5MCC_KetoPh (1c) - Center of cluster 4	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1798.89436108; Eh
	13-May-2026	/Dimer Structures - Conformational Study/6MCC_Amine (2r) 6MCC-Amine (2r) - Center of cluster 2	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1378.12124432; Eh
	13-May-2026	/6MCCs/Bicyclic_Carbonates (2ac-2ai)/Bicyc_DiMethyl_OTMS (2ag) a2_ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2986.27301677; Eh
	13-May-2026	/6MCCs/Bicyclic_Carbonates (2ac-2ai)/Bicyc_Ph_ODMS (2ai) a2_ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-3445.88244959; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_Vinyl (2t) Polymer (2t)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1264.96440191; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_OMe (2w) a2_ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1396.35298993; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_TriMethyl (2j) ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1784.90890439; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_Methyl (2b) a1_ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1206.63696546; Eh
	13-May-2026	/6MCCs/CF₃ (2aj-2al)/CF₃_Biphen (2al) ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-3147.26763450; Eh

Results 7771-7780 of 103542 (Search time: 0.007 seconds).