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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_TriMethyl (2j) a2_ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1285.25207671; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_CN (2s) ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1733.46453367; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC (2a) a2_ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1167.30487739; Eh
	13-May-2026	/Dimer Structures - Conformational Study/6MCC_CF3_Ph (2aj) 6MCC-CF3_Ph (2aj) - Center of cluster 4	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2246.36237706; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_TriMethyl 2+1 (2m) a2_ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1285.27150701; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_Cyclohexane (2y) Polymer (2y)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1500.92804122; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_DiMethyl_SS (2h) a2_ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1706.30330134; Eh
	13-May-2026	/Dimer Structures - Conformational Study/5MCC (1a) 5MCC (1a) - Center of cluster 3	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1031.56598732; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_OTs (2q) a1_ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-3337.33735604; Eh
	13-May-2026	/6MCCs/CF₃ (2aj-2al)/CF₃_Biphen (2al) Polymer (2al)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2708.42264424; Eh

Results 7411-7420 of 103542 (Search time: 0.008 seconds).