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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Apr-2019	/Methoxycarbonylation_of_MC1_to_BC TSdiss_MC1_100	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Improved Dimer Method	DFT	-	-1695.69012011; eV
	17-Apr-2019	/Methoxycarbonylation_of_MC1_to_BC TSdiss_MC1_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1610.71330516; eV
	17-Apr-2019	/Methoxycarbonylation_of_MC1_to_BC TSdiss_MC1_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1332.06291565; eV
	17-Apr-2019	/DMC_unselective_dissociation TS_dissociation_CH3_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1243.54449495; eV
	17-Apr-2019	/DMC_selective_dissociation TS_dissociation_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1244.86858910; eV
	17-Apr-2019	/DMC_selective_dissociation TS_dissociation_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-797.33200592; eV
	17-Apr-2019	/DMC_unselective_dissociation TS_dissociation_CH3_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-796.12637180; eV
	17-Apr-2019	/Methoxycarbonylation_of_TDA_to_MC2 TS_TDA_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1292.75954584; eV
	17-Apr-2019	/Methoxycarbonylation_of_TDA_to_MC2 TS_TDA_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1208.16560977; eV
	17-Apr-2019	/Methoxycarbonylation_of_TDA_to_MC2 TS_TDA_100	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Improved Dimer Method	DFT	-	-1656.22837727; eV

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