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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_Methyl (3b) 7MCC_Methyl_Beta (3b)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-460.327316174; Eh
	13-May-2026	/6MCCs/Bicyclic_Carbonates (2ac-2ai)/Bicyc_DiMethyl_OTMS (2ag) ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-2986.26772851; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_Ethyl_Phenyl (2aa) a2_ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2168.34118845; Eh
	13-May-2026	/Dimer Structures - Conformational Study/6MCC (2a) 6MCC (2a) - Center of cluster 4	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1110.20718800; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_CN (2s) a2_ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1733.50299921; Eh
	13-May-2026	/5MCCs/5MCC_Limonene_Carbonate (1f) a1_ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1440.07405585; Eh
	13-May-2026	/5MCCs/5MCC_Cyclohexane (1e) a2_ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1284.05222910; Eh
	13-May-2026	/7MCCs/7MCC_Ocyc (3g) a2_ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2085.22251669; Eh
	13-May-2026	/7MCCs/7MCC (3a) a2_ts4prop	Villar-Yanez, Alba	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2469.72052124; Eh
	13-May-2026	/7MCCs/7MCC (3a) ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1206.60359834; Eh

Results 7341-7350 of 103542 (Search time: 0.006 seconds).