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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2016/intermediateds 01_rLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---660.39919189; eV
thumbnail.jpeg1-Dec-2016/intermediateds 12_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---664.07555789; eV
thumbnail.jpeg1-Dec-2016/oxidation/Ru(0001) 0OLi, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexSingle point---140.78535676; eV
thumbnail.jpeg1-Dec-2016/ts 26_15_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexSingle point---652.58974184; eV
thumbnail.jpeg1-Dec-2016/ts_frequency 11_12_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---667.64083698; eV
thumbnail.jpeg1-Dec-2016/ts_frequency 01_01_rLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---661.96956231; eV
thumbnail.jpeg1-Dec-2016/ts 13_17_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexSingle point---663.00431876; eV
thumbnail.jpeg1-Dec-2016/oxidation/Ru(0001) 8OLi, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---192.57421185; eV
thumbnail.jpeg1-Dec-2016/ts 33_33_iLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexSingle point---653.19168146; eV
thumbnail.jpeg1-Dec-2016/Pd_Pt_test top_ptLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---387.50685014; eV
Results 41-50 of 2743 (Search time: 0.002 seconds).