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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Nov-2022	/M_N_din6_as_c3_235/Ni_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	-	-624.27486895; eV
	10-Jul-2023	i3a_ccpVTZ	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GENECP	-4159.7633589; Eh
	14-Feb-2023	/P_din6_as_c3_235 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-607.06403876; eV
	10-Jul-2023	PtCl2-epo2	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2026.29185924; eV
	10-Nov-2022	/M_N_din6_as_c3_236/Ag_N_din6_as_c3_236 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-619.68139366; eV
	10-Nov-2022	/M_N_din6_as_c3_235/Pd_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	-	-623.91470848; eV
	10-Nov-2022	/M_N_din6_as_c3_236/Fe_N_din6_as_c3_236 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-627.02104730; eV
	10-Nov-2022	/M_N_din6_as_c3_236/Co_N_din6_as_c3_236 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-624.99510925; eV
	10-Jul-2023	PtCl2-keto2	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1985.07868585; eV
	6-Sep-2024	/BP86/V V07O21-1H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-

Results 28131-28140 of 104510 (Search time: 0.018 seconds).