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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	MECPi_S=3_2_Me	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-31G(D,P) SDD GEN	-1978.68844239; Eh
	7-Mar-2023	MECPi_S=1_2_Me	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-31G(D,P) SDD GEN	-1978.68843658; Eh
	7-Mar-2023	Int-IX_Me	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1978.73489303; Eh
	24-Mar-2023	io_met_ethynyl_cage_gd3bj	Nieto Rodríguez, Marc	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G(D)	-6930.8342969; Eh
	28-Apr-2023	41_TS45_A_OEther_Cu	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G(D,P) SDD GEN	-3387.90444718; Eh
	26-Dec-2022	/mechanism_and_profile/TS4 TS4r-1-lowest_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-2883.4989871; Eh
	26-Dec-2022	/mechanism_and_profile/TS4 TS4r-1-lowest	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2882.57192247; Eh
	26-Dec-2022	/mechanism_and_profile/TS4 TS4r-2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2882.56996084; Eh
	26-Dec-2022	/other_bases/NMeMor NMeMor-proR-1-lowest	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2838.62894698; Eh
	26-Dec-2022	/mechanism_and_profile/I11 I11r-5	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-2511.00107226; Eh

Results 1711-1720 of 12354 (Search time: 0.004 seconds).