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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_nature (2q-2ab, 2am)/6MCC_Allyl (2u) Polymer (2u)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1343.59573117; Eh
	13-May-2026	/5MCCs/5MCC_Limonene_Carbonate (1f) ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-2094.53306749; Eh
	13-May-2026	/5MCCs/5MCC_C=C (1d) ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1546.54388703; Eh
	13-May-2026	/7MCCs/7MCC (3a) ts3prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-2048.66681169; Eh
	13-May-2026	/Dimer Structures - Conformational Study/5MCC_Me (1b) 5MCC_Me (1b) - Center of cluster 4	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1110.20276931; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_Cyclohexane (2y) a2_ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1939.77051254; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_DiMethyl_2+0 (2e) a1_ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1245.96038484; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_DiMethyl_RR (2f) a2_ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1245.95716580; Eh
	13-May-2026	/Dimer Structures - Conformational Study/5MCC (1a) 5MCC (1a) - Center of cluster 4	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1031.56765839; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_TriMethyl (2k) a2_ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1784.91861040; Eh

Results 7401-7410 of 103542 (Search time: 0.007 seconds).