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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//F2F_20th-September-2019_ETH Au_CeO2 TS_DMC_diss_Au111CeO2	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Improved Dimer Method	DFT	-	-1511.01172728; 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 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 TS2_methoxycarb_3	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Improved Dimer Method	DFT	-	-2046.34047894; eV
	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
	1-Oct-2019	/TS Dimer	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-200.48581567; 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

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