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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
17-Oct-2017	/reactions/niru is_a15	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-598.87270661; eV
17-Oct-2017	/reactions/niru is_a16	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-598.80032208; eV
3-Nov-2017	Pd-ECN_A2	Fako, Edvin	vasp; 5.4.4; 44Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-2148.01093208; eV
17-Oct-2017	/reactions/niru fs_b01	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.25517326; eV
17-Oct-2017	/reactions/niru fs_a16	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-598.84059657; eV
17-Oct-2017	/reactions/niru fs_b11	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-702.37228700; eV
17-Oct-2017	/reactions/niru fs_a04	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.60838291; eV
17-Oct-2017	/reactions/niru fs_b02	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-699.76483377; eV
17-Oct-2017	/reactions/niru is_a14	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-697.11876319; eV
17-Oct-2017	/reactions/niru is_b11	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.19540679; eV

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