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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Aug-2018/gas methyl_but_ol+2hLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--88.54902797; eV
thumbnail.jpeg23-Aug-2018/gas methyl_but_ol+4hLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--97.05951422; eV
thumbnail.jpeg1-Dec-2016/gas oxalicLi, Qiangvasp; 5.3.2; 13Sep12 (build Oct 26 2012 12:42:58) complexGeometry optimization---52.64325581; eV
thumbnail.jpeg23-Aug-2018/gas TolueneLi, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--92.87026501; eV
thumbnail.jpeg8-May-2017gas-0021García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimization---9.85531799; eV
thumbnail.jpeg8-May-2017gas-0201García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimization---6.76639487; eV
thumbnail.jpeg8-May-2017gas-0211García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimization---14.21877278; eV
thumbnail.jpeg8-May-2017gas-1011García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimization---14.77970402; eV
thumbnail.jpeg8-May-2017gas-1021García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimization---22.96215586; eV
thumbnail.jpeg8-May-2017gas-1211García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimization---22.14151727; eV
thumbnail.jpeg8-May-2017gas-1221García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimization---29.89603932; eV
thumbnail.jpeg8-May-2017gas-1401García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimization---24.05681734; eV
thumbnail.jpeg8-May-2017gas-1411García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimization---30.24319663; eV
thumbnail.jpeg8-May-2017gas-2202García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimization---22.95710311; eV
thumbnail.jpeg8-May-2017gas-2211García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimization---30.95853838; eV
thumbnail.jpeg8-May-2017gas-2214García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimization---29.34786379; eV
thumbnail.jpeg8-May-2017gas-2221García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimization---37.17143628; eV
thumbnail.jpeg8-May-2017gas-2224García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimization---36.90177392; eV
thumbnail.jpeg8-May-2017gas-2225García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimization---35.52436809; eV
thumbnail.jpeg8-May-2017gas-2402García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimization---32.00276082; eV