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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2017/Adsorption/ni/3x3/h tLi, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---197.52498049; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ni/3x3/h f_lLi, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---199.23005311; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ni/3x3/h hLi, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---199.21066646; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ni/3x3/co fLi, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---212.06239067; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ni/3x3/h bLi, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---199.07720965; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ni/3x3/co h_lLi, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---212.07414407; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ni/3x3/co bLi, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---211.97394908; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ni/3x3/co tLi, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---211.72440100; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ni/4x4 ethylbenzeneLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---359.19469764; eV
thumbnail.jpeg17-Oct-2017/Adsorption/ni/4x4 slabLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---334.36764683; eV
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