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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-May-2017	transition	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-916.86230775; eV
	18-May-2017	transition	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-917.16413474; eV
	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 MC2_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1248.10423245; eV
	17-Apr-2019	/Methoxycarbonylation_of_TDA_to_MC2 MC2_100	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1695.93647122; eV
	17-Apr-2019	/Methoxycarbonylation_of_TDA_to_MC2 MC2_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1332.64914635; eV
	28-Nov-2017	ol-PtPd-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-283.09558564; eV
	28-Nov-2017	ss-RuPd-0000	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-367.46230076; eV

Results 3231-3240 of 104079 (Search time: 0.005 seconds).