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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	/7MCCs/7MCC_Me_alpha (3c) ts1rop	Villar-Yanez, Alba	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	wb97xd	6-311G(D,P)	-1245.92379738; Eh
	13-May-2026	/5MCCs/5MCC (1a) a2_ts3prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1812.80152832; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_DiPhOEt (2am) 6MCC_DiPh_OEt (2am)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1263.53053182; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_Methyl_Phenyl (2z) ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-2089.70829879; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_DiMethyl_2+0 (2e) ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1706.27804926; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_Amine (2r) 6MCC_Amine (2r)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-515.655217123; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_OMe (2w) a1_ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1396.34489662; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_Methyl (2b) ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1206.61428940; Eh
	13-May-2026	/5MCCs/5MCC_KetoPh (1c) ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1511.66632154; Eh
	13-May-2026	/5MCCs/5MCC_C=C (1d) a1_ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1546.56698469; Eh

Results 8031-8040 of 103542 (Search time: 0.006 seconds).