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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Jan-2024	TS3-4	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GEN	-3269.4464841; Eh
	8-Jan-2024	int2	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GENECP	-2922.9335255; Eh
	8-Jan-2024	int4	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GENECP	-2922.2740384; Eh
	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/Pt_P_din4_x2_c4_e rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-621.97920946; eV
	14-Jun-2024	/Au25_clusters/Au25-charged Au24Agk_charged	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	17-Feb-2023	/M_P_din4_x2_c4_d_v2/Co_P_din4_x2_c4_d_v2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-618.87400154; eV
	17-Feb-2023	/M_P_din4_x2_c4_d_v2/Zn_P_din4_x2_c4_d_v2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-612.71128184; eV
	17-Feb-2023	/M_P_din4_x2_c4_d_v2/Pt_P_din4_x2_c4_d_v2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-619.60603882; eV

Results 26201-26210 of 100136 (Search time: 0.04 seconds).