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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
8-May-2017	Ru-35107	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-370.11509396; eV
12-Apr-2017	f-Na2-PW_PBEsol+U_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-450.97441691; eV
11-Apr-2017	/Ni3P2/freq ts_h2o_2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-546.58970530; eV
11-Apr-2017	/Ni3P2/freq H_hollow	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-529.97894877; eV
11-Apr-2017	/Ni3P2/freq 7B4	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-571.31213901; eV
11-Apr-2017	/Ni3P2/freq BNH6	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Frequencies	-	-	-564.15912702; eV
11-Apr-2017	/Ni3P2/freq H2O	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-540.65684553; eV
11-Apr-2017	/Ni3P2/freq H2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-533.10113906; eV
12-Apr-2017	f-Na-PB_PBEsol+U_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-439.09224884; eV

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