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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
17-Oct-2017	/reactions/niru ts_a02	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-699.35815752; eV
3-Nov-2017	Pd-ECN_A3	Fako, Edvin	vasp; 5.4.4; 42Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-2148.14531406; eV
17-Oct-2017	/reactions/niru ts_a11	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.25717108; eV
17-Oct-2017	/reactions/niru ts_a04	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-700.33069954; eV
17-Oct-2017	/reactions/niru ts_a12	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-700.61631791; eV
17-Oct-2017	/reactions/niru is_a21	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-539.99653635; eV
17-Oct-2017	/reactions/niru is_b01	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.15824374; eV
17-Oct-2017	/reactions/niru fs_a12	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-702.14074055; eV
17-Oct-2017	/reactions/niru fs_a13	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-700.62366689; eV
17-Oct-2017	/reactions/niru fs_a15	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-599.26658510; eV

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