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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas TS1_1	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:51:08) gamma-only	Improved Dimer Method	DFT	-	-2006.41948405; eV
	22-Jun-2018	/HP_13Propanediol TS_HP2OH_13propanediol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Improved Dimer Method	PBE+U	-	-1146.08632989; eV
	22-Jun-2018	/Propanone_2Propanol TS_Propanone_2propanol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Improved Dimer Method	PBE+U	-	-1139.95583936; eV
	22-Jun-2018	/13Proanediol_2Propenol TS_13Propanediol_2Propenol	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Improved Dimer Method	PBE+U	-	-1145.86308368; eV
	22-Jun-2018	/Acetol_PG TS_Acet2OH_PG	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Improved Dimer Method	PBE+U	-	-1146.28320506; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH//F2F_20th-September-2019_ETH Au_CeO2 TS_MC2_form_Au111CeO2	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Improved Dimer Method	DFT	-	-1597.80502380; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas TS2_2_methoxycarbonylation	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Improved Dimer Method	DFT	-	-2046.16659359; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas TS2_2_methylation	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Improved Dimer Method	DFT	-	-2045.51466250; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ureas TS1_2	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Improved Dimer Method	DFT	-	-2007.07064471; eV

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