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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Dec-2016	/ts 12_23_c	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Single point	-	-	-667.01519765; eV
1-Dec-2016	/ts 13_13_i	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Single point	-	-	-664.04036834; eV
1-Dec-2016	/ts 12_21_c	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Single point	-	-	-666.61448604; eV
1-Dec-2016	/ts 22_22_i	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Single point	-	-	-666.88257971; eV
1-Dec-2016	/ts 12_11_r	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-662.70609295; eV
1-Dec-2016	/ts 12_11_c	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Single point	-	-	-663.85270934; eV
21-Oct-2016	/Fe13/Fe13_oxo_CF3CO2(-) Corresponding_orbitals	Bandeira, Nuno	Orca; 3.0.3; RELEASE	Single point	DFT	SVP; SVP/J	-
1-Dec-2016	/ts 02_26_h2o	Li, Qiang	vasp; 5.3.2; 13Sep12 (build Oct 26 2012 12:42:58) complex	Single point	-	-	-670.76787305; eV
1-Dec-2016	/ts 14_26_r	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Single point	-	-	-652.10343749; eV
1-Dec-2016	/ts 21_25_c	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Single point	-	-	-666.88749050; eV

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