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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_DiMethyl_SS (2h) 6MCC_DiMethyl_ SS (2h)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-460.340287584; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_Amine (2r) a2_ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1301.26097589; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_DiMethyl_SS (2h) a1_ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1706.31505533; Eh
	13-May-2026	/6MCCs/Bicyclic_Carbonates (2ac-2ai)/Bicyc_Ph_ODMS (2ai) ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-2115.71372993; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_Allyl (2u) 6MCC_Allyl (2u)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-498.401775822; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_Methyl (2c) a1_ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1627.67536395; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_Methyl (2b) a2_ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1206.62054423; Eh
	13-May-2026	/6MCCs HTBD⁺ (protonated 1,5,7-triazabicyclo[4.4.0]dec-5-ene)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-439.286994524; Eh
	13-May-2026	/7MCCs/7MCC_Methyl (3b) a1_ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1706.27627518; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_Ethyl_Phenyl (2aa) Polymer (2aa)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1729.50410845; Eh

Results 7871-7880 of 103542 (Search time: 0.007 seconds).