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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Jul-2017	Dawson-TS_asso	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Improved Dimer Method	-	-	-773.15241280; eV
	10-Jul-2017	Keggin-TS_asso	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Improved Dimer Method	-	-	-545.59036880; eV
	10-Jul-2017	MoO3-TS_asso	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Improved Dimer Method	-	-	-1220.90999354; eV
	10-Jul-2017	MoO3-TS_diss	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Improved Dimer Method	-	-	-1220.74620377; eV
	17-Apr-2019	/Methoxycarbonylation_of_MeTDA2_to_MeMC4 TSmethoxy_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1348.03925861; eV
	17-Apr-2019	/Methoxycarbonylation_of_MeTDA2_to_MeMC4 TSdiss_MTDA2_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1224.46516941; eV
	17-Apr-2019	/Methoxycarbonylation_of_MeTDA2_to_MeMC4 TSmethoxy_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1264.05476600; eV
	17-Apr-2019	/Methoxycarbonylation_of_MeTDA2_to_MeMC4 TSmethoxy_100	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1712.02089150; eV
	17-Apr-2019	/Methoxycarbonylation_of_MC1_to_BC TSmethox_100	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1735.04999228; eV
	17-Apr-2019	/Methoxycarbonylation_of_MC1_to_BC TSmethox_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1371.04193947; eV

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