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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Apr-2026	52-TpBr3Cu	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-24037.0439213; Eh
	23-Apr-2026	63-TpBrCF32Cu-MAC	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	SDD 6-31G(D,P) GEN	-10886.3806712; Eh
	23-Jul-2026	10-prod-4	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricIEFPCM	6-31G GEN*	-952.421634218; Eh
	23-Jul-2026	00-CsI-mes	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	AsymmetricIEFPCM	GENECP	-31.3047077215; Eh
	23-Jul-2026	46-TS_c3N-c4N-5D	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	AsymmetricIEFPCM	6-31G GENECP*	-1649.40274983; Eh
	5-Nov-2025	I-1a-MeOAc	Díaz-Ruiz, Marina	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RM062X	DEF2TZVP	-910.9192049; Eh
	5-Nov-2025	TS1-1f	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM062X	DEF2TZVP	-914.1288595; Eh
	5-Nov-2025	T2-1a-DM	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	DEF2TZVP	-761.7774761; Eh
	5-Nov-2025	substrate-1a-DM	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	DEF2TZVP	-561.7856464; Eh
	5-Nov-2025	III-1a-DM	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	DEF2TZVP	-761.8445318; Eh

Results 11351-11360 of 12948 (Search time: 0.009 seconds).