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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Sep-2018	3b_Cl_Cl_ethyl_chloride_Hstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	PBE+U	-	-1255.78264594; eV
	17-Sep-2018	5_Br_uncappedO_ethane_Hstrip_Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	PBE+U	-	-1253.47911711; eV
	17-Sep-2018	1a_Cl_fcO_ethane_Hstrip_Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	PBE+U	-	-1255.35455215; eV
	17-Sep-2018	3a_Cl_fcO_ethyl_chloride_Hstrip_TS	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	PBE+U	-	-1247.08105944; eV
	17-Sep-2018	5b_Br_Br_ethane_Hstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	PBE+U	-	-1262.72394906; eV
	17-Sep-2018	5_Br_uncappedO_ethane_Hstrip_TS	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	PBE+U	-	-1252.64400096; eV
	17-Sep-2018	5a_Br_fcO_ethane_Hstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	PBE+U	-	-1254.77218357; eV
	17-Sep-2018	7b_Br_Br_ethyl_bromide_Hstrip_TS	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	PBE+U	-	-1252.24780019; eV
	17-Sep-2018	3a_Cl_fcO_ethyl_chloride_Hstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	PBE+U	-	-1249.28460674; eV
	17-Sep-2018	1_Cl_uncappedO_ethane_Hstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	PBE+U	-	-1254.30360373; eV

Results 21-30 of 56 (Search time: 0.001 seconds).