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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2017/Ni3P2/opt BulkLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---53.38234135; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq ts_3b4bLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---637.71675301; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt 3B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---579.19970362; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/freq H2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---533.10113906; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/freq H2OLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---540.65684553; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt ts_h2o_1Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---540.37029533; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt BNH6Li, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---565.01401951; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt 4B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---640.47550533; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/freq 6B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---571.99560796; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt 6B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---572.87084322; eV
Results 51-60 of 68 (Search time: 0.0 seconds).