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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-1-52

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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 345
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2017/Gas_Geometries CLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A---266.64412947; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries phenolLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complexN/A---82.89552213; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries benzeneLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimization---76.15541895; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries G9Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A---162.23932904; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries BLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A---266.63995884; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries ALi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A---266.68833229; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries G10Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimization---155.42984625; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries G6Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A---161.84740664; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries G1Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A---153.63851666; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries G5Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A---168.71861874; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries ELi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimization---260.00269093; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries G8Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A---168.75970212; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries DLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A---266.66446596; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries G7Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A---162.15483202; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries G2Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A---153.68094671; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries G3Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A---160.79311031; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries G4Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimization---153.74103648; eV
thumbnail.jpeg17-Oct-2017/Gas_Geometries 2_methoyxphenolLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A---105.64672849; eV
thumbnail.jpeg17-Oct-2017/Solvation/h2o DLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A---267.70406218; eV
thumbnail.jpeg17-Oct-2017/Solvation/h2o G7Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A---162.75013396; eV
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 345
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