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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
17-Oct-2017	/reactions/niru fs_b16	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-598.90574250; eV
17-Oct-2017	/Solvation/eg B	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-267.17933063; eV
17-Oct-2017	/Solvation/eg C	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-267.18632627; eV
17-Oct-2017	/Solvation/eg A	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-267.22294680; eV
17-Oct-2017	/Solvation/eg D	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-267.22093467; eV
28-Nov-2017	ol-RhNi-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-321.96942199; eV
17-Oct-2017	/reactions/niru is_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 fs_b12	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.46325882; eV
17-Oct-2017	/reactions/niru fs_b15	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-599.10802559; eV
17-Oct-2017	/reactions/niru is_a11	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.54508703; eV

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