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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) ts5prop	Villar-Yanez, Alba	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	wb97xd	6-311G(D,P)	-2694.17261030; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC (2a) ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1167.28757565; Eh
	13-May-2026	/7MCCs/7MCC_C=C (3e) 7MCC_C=C (3e)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-419.760871589; Eh
	13-May-2026	/5MCCs/5MCC (1a) a1_ts5prop	Villar-Yanez, Alba	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2497.62263938; Eh
	13-May-2026	/7MCCs/7MCC (3a) a2_ts4rop	Villar-Yanez, Alba	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2469.73633484; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_Ethyl_Phenyl (2aa) ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-2168.33446691; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_Methyl_Phenyl (2z) ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1437.64060713; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_HexaMethyl (2p) ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1403.17676240; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_HexaMethyl (2p) a1_ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2020.77290614; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_TriMethyl (2k) a2_ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1285.26662574; Eh

Results 7461-7470 of 103542 (Search time: 0.007 seconds).