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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Apr-2026	48-CuMAC2	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-701.099027858; 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-Apr-2026	61-TpBrCF32Cu-NCMe	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-10767.2382075; Eh
	23-Apr-2026	60-TpiPr2Cu-MAC	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	SDD 6-31G(D,P) GEN	-1859.57427477; Eh
	23-Apr-2026	59-TpiPr2Cu-NCMe	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	SDD 6-31G(D,P) GEN	-1740.44244276; Eh
	23-Apr-2026	62-TpBrCF32Cu	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-10634.4322514; Eh
	23-Apr-2026	56-TpMe2Cu-NCMe	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-1268.59481805; Eh
	23-Apr-2026	58-TpiPr2Cu	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	SDD 6-31G(D,P) GEN	-1607.64244494; Eh
	26-Jan-2017	3c+H	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G*	-842.877832890; Eh
	24-Jan-2019	/Reductive_Elimination 8	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G**	-1644.3236948; Eh

Results 1291-1300 of 12842 (Search time: 0.004 seconds).