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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2017/Ni3P2/freq ts_h2o_1Li, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexFrequencies---539.58762080; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt ts_3b4bLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---639.03358724; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq H_topLi, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexFrequencies---588.69224778; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt 4B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---579.28605658; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt OHLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---538.16085256; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/freq BNH6Li, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexFrequencies---564.15912702; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq OHLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---597.34417350; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt H2OLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---541.52285694; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt h2o_2_isLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---609.40482803; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt ts_h2o_2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---547.44399225; eV
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