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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Aug-2018/solvation//solvation solv methyl_but_ol+2hLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimizationDFT--88.76474445; eV
thumbnail.jpeg23-Aug-2018/solvation//solvation solv methyl_but_ol+4hLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimizationDFT--97.23595157; eV
thumbnail.jpeg23-Aug-2018/solvation//solvation solv methyl_but_olLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimizationDFT--79.83601664; eV
thumbnail.jpeg23-Aug-2018/solvation//solvation solv c2h6Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimizationDFT--40.57885096; eV
thumbnail.jpeg23-Aug-2018/solvation//solvation solv hexaneLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimizationDFT--107.00680376; eV
thumbnail.jpeg23-Aug-2018/solvation/solv tolueneLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimizationDFT--92.95406231; eV
thumbnail.jpeg23-Aug-2018/solvation//solvation solv h2Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimizationDFT--6.78387209; eV
thumbnail.jpeg23-Aug-2018/solvation/no_solv methyl_but_ol+2hLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimizationDFT--88.54902654; eV
thumbnail.jpeg23-Aug-2018/solvation/no_solv methyl_but_ol+4hLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimizationDFT--97.05949283; eV
thumbnail.jpeg23-Aug-2018/solvation/no_solv methyl_but_olLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimizationDFT--79.58646098; eV
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