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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2016/intermediateds 24_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---657.09242903; eV
thumbnail.jpeg1-Dec-2016/intermediateds 26_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---649.67780599; eV
thumbnail.jpeg1-Dec-2016/intermediateds 26_rLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---649.26914407; eV
thumbnail.jpeg1-Dec-2016/intermediateds 01_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---660.49622427; 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/intermediateds 24_rLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---656.83607038; eV
thumbnail.jpeg1-Dec-2016/intermediateds 28_cLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---656.39517799; eV
Login required22-Aug-2018/ads_sn2_Cu111 fsLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--274.22740312; eV
Login required22-Aug-2018/ads_sn2_Cu111 ch3ohLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--254.27115700; eV
Login required22-Aug-2018/ads_sn2_Cu111 bh3nh3Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--261.30172611; eV
Results 11-20 of 1038 (Search time: 0.381 seconds).