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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-2O-2Ce3-33_36	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-856.86269708; eV
	1-Mar-2022	Pt-3O-1Ce3-28	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-856.02602569; eV
	1-Mar-2022	Pt-3O-1Ce3-30	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-856.10578849; eV
	18-Jun-2024	/Transition_states/Pd/111 2414-1212+1201	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	DFT	-	-
	4-Sep-2023	TSC1-3	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-869.574615707; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/II_OMe_Cpstar II_OMe_Cpstar_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1318.5726727; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/3a_TES 3a_TES_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1078.8063135; Eh
	11-Feb-2022	/Profiles/Rh-In2O3 Rh-In₂O₃-r0102	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex	Geometry optimization	DFT	-	-1106.49293655; eV
	19-Aug-2021	oxides-PdO2-bulk	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-33.51286338; eV
	19-Aug-2021	oxides-RuO2-bulk	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-45.74602942; eV

Results 62871-62880 of 104471 (Search time: 0.038 seconds).