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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg2-Dec-2016/TSs-ring_open beta_glucoseLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---720.58411468; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/freq ts_4b_hLi, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexFrequencies---577.83794743; eV
thumbnail.jpeg1-Dec-2016/ts_frequency 23_22_rLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---669.70132823; eV
thumbnail.jpeg1-Dec-2016/intermediateds oh_slabLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexSingle point---575.08060529; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt ts_3b4bLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---578.03189124; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq 6B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---632.19830005; eV
Results 11-20 of 1038 (Search time: 0.001 seconds).