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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-1-34

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Collection's Items (Sorted by Submit Date in Descending order): 21 to 40 of 68
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2017/Ni3P2/opt OHLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---538.16085256; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt H_topLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---530.12722503; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt 3B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---579.19970362; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt H_hollowLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---530.85525860; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt H2OLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---541.52285694; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt H2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---534.00808979; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt 7B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---572.23909621; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt 6B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---572.87084322; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt ts_h2o_2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---547.44399225; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt BulkLi, Qiangvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---53.38234135; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt ts_h2o_1Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---540.37029533; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt BNH6Li, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---565.01401951; eV
thumbnail.jpeg11-Apr-2017/Ni3P2/opt ts_7b6bLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---572.22073839; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt 1x1Li, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---146.81170771; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt 2x2Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexSingle point---587.33697528; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt 3B4Li, Qiangvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---639.95841033; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt 4B4Li, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---640.47550533; eV
thumbnail.jpeg11-Apr-2017/NiCo2P2/opt OHLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---598.83853187; eV
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/opt H_topLi, Qiangvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexGeometry optimization---590.02473509; eV
Collection's Items (Sorted by Submit Date in Descending order): 21 to 40 of 68
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