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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
11-Apr-2017	/Ni3P2/freq OH	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-537.23146038; eV
11-Apr-2017	/NiCo2P2/opt 2x2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-587.33697528; eV
11-Apr-2017	/Ni3P2/opt ts_7b6b	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-572.22073839; eV
11-Apr-2017	/Ni3P2/opt H2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-534.00808979; eV
11-Apr-2017	/Ni3P2/freq ts_4b_h	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Frequencies	-	-	-577.83794743; eV
11-Apr-2017	/Ni3P2/opt ts_3b4b	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-578.03189124; eV
11-Apr-2017	/NiCo2P2/freq 6B4	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-632.19830005; eV
11-Apr-2017	/NiCo2P2/opt 6B4	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-633.55774431; eV
11-Apr-2017	/NiCo2P2/opt ts_4b_h	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-640.07767092; eV
11-Apr-2017	/Ni3P2/freq 3B4	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-578.30288960; eV

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