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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Mar-2022	Pt-4O-2Ce3-34_36	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-857.38846270; eV
	1-Mar-2022	Rh-2O-2Ce3-29_33	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-857.65591327; eV
	1-Mar-2022	Cu-2O-2Ce3-33_34	Geiger, Julian	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	DFT	-	-855.63493539; eV
	1-Mar-2022	Cu-2O-2Ce3-28_29	Geiger, Julian	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	DFT	-	-855.63268641; eV
	25-Jun-2024	/Intermediates/Ni/110 C6H6S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-452.24949331; eV
	25-Jun-2024	/Intermediates/Os/0001 CHO_3	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	1-Mar-2022	Co-4O-2Ce3-33_35	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-859.25099686; eV
	1-Mar-2022	Cu-3O-0Ce3-00	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-855.19225041; eV
	26-Aug-2024	geom7_LLT_nox2_w5	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1029.1377966; Eh
	18-Jun-2024	/Transition_states/Cu/111 1311-1211	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	DFT	-	-

Results 30971-30980 of 104512 (Search time: 0.018 seconds).