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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_DiEthyl (2x) ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1863.52824266; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_OTs (2q) a1_ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2061.44477716; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_CN (2s) ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1259.52790175; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC (2a) a1_ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1549.01710557; Eh
	13-May-2026	/5MCCs/5MCC_KetoPh (1c) a1_ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1511.68544146; Eh
	13-May-2026	/7MCCs/7MCC_Cyc (3d) ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1939.73944887; Eh
	13-May-2026	/5MCCs/5MCC (1a) ts4rop	Villar-Yanez, Alba	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	wb97xd	6-311G(D,P)	-2155.19679276; Eh
	13-May-2026	/7MCCs/7MCC (3a) a1_ts5rop	Villar-Yanez, Alba	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2890.75034386; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_Ethyl_Phenyl (2aa) 6MCC_EtPh (2aa)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-691.355519047; Eh
	13-May-2026	/6MCCs/Bicyclic_Carbonates (2ac-2ai)/Bicyc_DiMethyl_OTMS (2ag) ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1885.92929885; Eh

Results 7611-7620 of 103542 (Search time: 0.007 seconds).