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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2017	Ru-5-09	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-355.97689505; eV
	17-Apr-2019	/Methoxycarbonylation_of_TDA_to_MC2 TSmethox_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1247.89104093; eV
	17-Apr-2019	/Methoxycarbonylation_of_TDA_to_MC2 TSmethox_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1331.77742837; eV
	17-Apr-2019	/Methoxycarbonylation_of_TDA_to_MC2 TSmethox_100	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1695.60216475; eV
	8-May-2017	Ru-6-03	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-351.04186920; eV
	8-May-2017	Ru-2-08	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Improved Dimer Method	-	-	-365.77097287; eV
	8-May-2017	Ru-6-11	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Improved Dimer Method	-	-	-351.74918079; eV
	10-Jul-2017	Keggin-TS_diss	Rellán, Marcos	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Improved Dimer Method	-	-	-545.51706252; eV
	8-May-2017	Ru-6-08	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-352.16750422; eV
	8-May-2017	Ru-6-10	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-351.35972294; eV

Results 21-30 of 521 (Search time: 0.15 seconds).