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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Mar-2021	/electric-field Cu(100)-5x2-8CO-4T4B-el-0_20	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-264.99103202; eV
	12-Mar-2021	/electric-field Cu(100)-5x2-8CO-2T6B-el-0_60	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-265.73552689; eV
	12-Mar-2021	/electric-field Cu(100)-5x2-8CO-4T4B-el-0_40	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-265.30229318; eV
	30-Nov-2022	/Oxygen-vacancies/x-ZnZrOx-slab/m-ZnZrOx-1vac/Zn-surf-m-ZnZrOx-1vac m4-m-ZnZrOx-vac-ss-6	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-431.27654985; eV
	29-Jul-2021	i241101+i130101-i371201+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-183.69264656; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_CF3_Cpstar_II_III/NBO TS_CF3_Cpstar_II_III_nbo	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1540.6926069; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S22 S22_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-2334.1726876; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1_NO2 1_NO2_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-680.5327415; Eh
	21-Oct-2021	SiW10-di-Prod-Open	Mateo, Ana	ADF; 2017	Geometry optimization	BP86	TZP	-
	21-Oct-2021	SiW10-mono-Open3	Mateo, Ana	ADF; 2017	Geometry optimization	BP86	TZP	-

Results 62771-62780 of 104471 (Search time: 0.042 seconds).