Search        

Add filters:

Use filters to refine the search results.

Item hits:
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.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
thumbnail.jpeg1-Dec-2016/ts_frequency 25_32_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---662.90202559; eV
thumbnail.jpeg1-Dec-2016/gas oxalicLi, Qiangvasp; 5.3.2; 13Sep12 (build Oct 26 2012 12:42:58) complexGeometry optimization---52.64325581; eV
thumbnail.jpeg1-Dec-2016/intermediateds 23_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---668.41710326; eV
thumbnail.jpeg1-Dec-2016/intermediateds 02_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---657.11876415; eV
Results 1-10 of 210 (Search time: 0.001 seconds).