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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N2/Zn_sq_C4N1_C5N2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-621.87330978; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N2/Ru_sq_C4N1_C5N2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-629.24534104; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N2/Rh_sq_C4N1_C5N2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-627.56103032; eV
	7-Mar-2024	SP_C14	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1791.9822253; Eh
	2-Mar-2023	dos_Ui0_66	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-453.69797408; eV
	16-Jul-2024	/M_Fe_N_din6_s_c2_01/Os_Fe_N_din6_s_c2_01 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-617.71287176; eV
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-2CuC2O4-1-E-p01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-613.30691675; eV
	26-Mar-2024	SP_TSE1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1213.8295305; Eh
	7-Mar-2023	Int-VIII	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-2170.46416084; Eh
	7-Mar-2023	Int-IX	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-2170.48497205; Eh

Results 49501-49510 of 104124 (Search time: 0.03 seconds).