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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2016/ts 01_01_iLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---659.34104541; eV
thumbnail.jpeg1-Dec-2016/intermediateds 33_rLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---653.28322804; eV
thumbnail.jpeg1-Dec-2016/intermediateds 27_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---657.41836135; eV
thumbnail.jpeg1-Dec-2016/ts 14_26_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexSingle point---652.07457892; eV
thumbnail.jpeg1-Dec-2016/Pd_Pt_test oh_hcp_ptLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---393.20887868; eV
thumbnail.jpeg1-Dec-2016/ts_frequency 14_24_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---659.48786223; eV
thumbnail.jpeg1-Dec-2016/intermediateds h_slabLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---567.99179902; eV
thumbnail.jpeg1-Dec-2016/ts 13_23_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexSingle point---667.00277234; eV
thumbnail.jpeg1-Dec-2016/ts_frequency 26_29_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---656.78335309; eV
thumbnail.jpeg1-Dec-2016/ts_frequency 11_21_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---670.47415150; eV
Results 31-40 of 2743 (Search time: 0.002 seconds).