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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Aug-2018	MDsnap_dimer1_1940	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.30121663; eV
	27-Jun-2023	Z-F2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1819.02477635; Eh
	8-May-2019	/NiN4 NiN4-H	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-651.19519926; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas PU1_diss_3	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:51:08) gamma-only	Geometry optimization	DFT	-	-2007.35280342; eV
	29-Sep-2025	/Single-points/PBE-111kp/Ovac_surface-pristine-like cl-m-b-tio2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-1543.01065127; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas PU1diss+mC_3	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-2046.84132071; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas TS2_methylation_3	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Improved Dimer Method	DFT	-	-2045.61923029; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas PU_methoxycarb_3	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-2046.74409114; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas TS1_diss_3	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:51:08) gamma-only	Improved Dimer Method	DFT	-	-2007.15080640; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas UU2_ads	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-2047.52438356; eV

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