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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt ts_7b6bLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---633.32618490; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/freq 4B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---578.30110044; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt H_topLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---530.12722503; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt ts_h2o_2Li, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---608.44433256; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt ts_h2o_1Li, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---600.90421509; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt 7B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---633.39318424; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/freq ts_3b4bLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---577.10816588; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt 1x1Li, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---146.81170771; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/freq 7B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---571.31213901; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq H_hollowLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---590.05499587; eV
Results 41-50 of 68 (Search time: 0.001 seconds).