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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jul-2026	40-Mes-Cs2CO3-PhOMe-HO13-TS-f	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	AsymmetricIEFPCM	6-31G GENECP*	-1387.95035908; Eh
	23-Jul-2026	39-Mes-CsOCPhCH2	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricIEFPCM	6-31G GENECP*	-753.806554160; Eh
	23-Jul-2026	44-Mes-CsOCPhCD2	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	AsymmetricIEFPCM	6-31G GENECP*	-753.806554160; Eh
	23-Jul-2026	43-Mes-CSHCO3-D	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	AsymmetricIEFPCM	6-31G GENECP*	-634.121511198; Eh
	23-Jul-2026	41-PhMeO-f-CD3	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	AsymmetricIEFPCM; m06	6-31G GEN*	-384.616318520; Eh
	23-Jul-2026	45-Ph-5DMeO	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	AsymmetricIEFPCM; m06	6-31G GEN*	-384.616318520; Eh
	5-Nov-2025	TS2-1a-MeOAc	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	DEF2TZVP	-911.0705799; Eh
	5-Nov-2025	TS1-1a-MeOAc	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM062X	DEF2TZVP	-910.9839992; Eh
	5-Nov-2025	III-1a-MeOAc	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	DEF2TZVP	-911.1177712; Eh
	2-May-2024	subs4-triplet-twisted	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-769.845108109; Eh

Results 11481-11490 of 12948 (Search time: 0.009 seconds).