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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	21-TS_c6A-c0	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	AsymmetricIEFPCM	6-31G GENECP*	-2248.54415354; Eh
	23-Jul-2026	18-c5A	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricIEFPCM	6-31G GENECP*	-1953.00062356; Eh
	23-Jul-2026	20-c6A	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	AsymmetricIEFPCM	6-31G GENECP*	-1668.78153540; Eh
	23-Jul-2026	22-prod-3	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricIEFPCM	6-31G GEN*	-952.430259969; Eh
	23-Jul-2026	19-TS_c5A-c6A	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	-	6-31G GENECP*	-1952.97514612; Eh
	23-Jul-2026	23-TS_c1-c2N	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	-	6-31G GENECP*	-1680.75343139; Eh
	2-May-2024	Ir-D	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ GEN	-2136.80196629; Eh
	5-Nov-2025	IV-1a-DM	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	DEF2TZVP	-761.8810739; Eh
	5-Nov-2025	V-1a-DM	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM062X	DEF2TZVP	-761.721303; Eh
	23-Apr-2026	03-TrMt-TS_1-2	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-26368.7963760; Eh

Results 11371-11380 of 12948 (Search time: 0.008 seconds).