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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2016/ts 16_01_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexSingle point---659.95285190; eV
thumbnail.jpeg1-Dec-2016/ts_frequency 26_14_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---655.83383552; eV
thumbnail.jpeg1-Dec-2016/ts 11_14_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexSingle point---662.95618459; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/freq OHLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---537.23146038; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt 2x2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---587.33697528; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt ts_7b6bLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---572.22073839; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt H2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---534.00808979; eV
thumbnail.jpeg1-Dec-2016/ts_frequency 12_11_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---667.64083698; eV
thumbnail.jpeg1-Dec-2016/ts 12_12_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexSingle point---663.58246273; eV
thumbnail.jpeg1-Dec-2016/ts_frequency 22_31_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---674.25970921; eV
Results 1-10 of 1038 (Search time: 0.001 seconds).