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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Jan-2024	int3	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GEN	-3269.466424; Eh
	8-Jan-2024	int1	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GENECP	-2621.7881568; Eh
	17-Feb-2023	/M_P_din4_x2_c4_e/Ni_P_din4_x2_c4_e rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-621.57496197; eV
	25-Jun-2024	/Intermediates/Cu/111 C2H4O2_2	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Ir/111 C2H3_2	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	6-Sep-2024	/BP86/V H4O2	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	31-Jul-2023	/M_N_SACs/M_tr_C5N2/Rh_tr_C5N2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-656.74951324; eV
	31-Jul-2023	/M_N_SACs/M_tr_C5N2/Pt_tr_C5N2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-654.50730473; eV
	31-Jul-2023	/M_N_SACs/M_tr_C5N2/Pt_tr_C5N2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-655.89465758; eV
	7-Mar-2024	SP_D19syn	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-543.6776121; Eh

Results 46661-46670 of 104079 (Search time: 0.03 seconds).