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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt H_hollowLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---591.34370953; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq h2o_2_isLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---608.19720371; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/freq ts_7b6bLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---571.33331316; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt 1x1Li, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---131.74111377; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq H2OLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---600.53564113; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq ts_h2o_2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---607.18890533; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt H_topLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---590.02473509; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/freq ts_4b_hLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---638.82950399; eV
Results 61-68 of 68 (Search time: 0.0 seconds).