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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Feb-2024	ch3c6h4ome-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-397.623373740; Eh
	16-Sep-2022	/Cl_system/SP i4-Cl-oss-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G* GENECP*	-3220.6900402; Eh
	16-Sep-2022	/Cl_system/SP i4-Cl-s-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-3220.6845181; Eh
	1-Mar-2022	Pt-4O-2Ce3-35_36	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-857.38528084; eV
	1-Mar-2022	Rh-2O-1Ce3-28	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-857.61481273; eV
	1-Mar-2022	Rh-2O-1Ce3-33	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-857.54992332; eV
	16-Feb-2023	/M_S_din6_as_c3_125/Co_S_din6_as_c3_125 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-611.30049679; eV
	16-Feb-2023	/M_S_din6_as_c3_163/Cd_S_din6_as_c3_163 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-603.36628164; eV
	16-Feb-2023	/M_S_din6_as_c3_125/Pt_S_din6_as_c3_125 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-610.77418201; eV
	16-Sep-2022	/Cl_system/SP i5-Cl-t-2-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G* GENECP*	-3530.5083615; Eh

Results 70461-70470 of 104471 (Search time: 0.041 seconds).