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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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_selective_dissociation Dissociated_DMC_100	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Geometry optimization	DFT	-	-1610.17473549; eV
	18-May-2017	transition	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	-	-	-915.35944700; eV
	18-May-2017	transition	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex	Frequencies	-	-	-914.12274770; eV
	18-May-2017	transition	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Frequencies	-	-	-916.30130953; eV
	17-Apr-2019	/DMC_unselective_dissociation Dissociated_DMC_to_CH3_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1245.39259734; eV
	17-Apr-2019	/DMC_unselective_dissociation Dissociated_DMC_to_CH3_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-797.82399563; 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
	23-Aug-2018	/solvation/no_solv c2h4	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-32.00423703; eV
	28-Nov-2017	ol-PtPd-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-304.99711900; eV

Results 3201-3210 of 104079 (Search time: 0.006 seconds).