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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jan-2026	/FG_dataset/aromatics/zn/0001 zn-4411-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-110.64082055; eV
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c3_236/Cu_Fe_N_din6_as_c3_236 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-632.34721676; eV
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c3_163/Cd_Fe_N_din6_as_c3_163 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-628.43780835; eV
	17-Jul-2025	ts1_m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	GENECP	-6131.0897688; Eh
	17-Jul-2025	PdL_m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	GENECP	-3325.5309526; Eh
	17-Jul-2025	Int3__m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RM06	GENECP	-3656.9025758; Eh
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c3_235/Ag_Fe_N_din6_as_c3_235 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-630.17088731; eV
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c3_b_v2/Os_Fe_N_din4_x2_c3_b_v2 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-639.89686273; eV
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c3_b/Ru_Fe_N_din4_x2_c3_b sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-638.15389527; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/adO2 adO2	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-15450.54695430; eV

Results 82441-82450 of 104124 (Search time: 0.059 seconds).