lignin_depolymerization

CC-BY-4.0

PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpeg/Gas_Geometries CLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A----266.64412947; eV
thumbnail.jpeg/Gas_Geometries phenolLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complexN/A----82.89552213; eV
thumbnail.jpeg/Gas_Geometries BLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A----266.63995884; eV
thumbnail.jpeg/Gas_Geometries ALi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A----266.68833229; eV
thumbnail.jpeg/Gas_Geometries G10Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimization----155.42984625; eV
thumbnail.jpeg/Gas_Geometries G6Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A----161.84740664; eV
thumbnail.jpeg/Gas_Geometries G1Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A----153.63851666; eV
thumbnail.jpeg/Gas_Geometries G5Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A----168.71861874; eV
thumbnail.jpeg/Gas_Geometries ELi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimization----260.00269093; eV
thumbnail.jpeg/Gas_Geometries G8Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A----168.75970212; eV
thumbnail.jpeg/Gas_Geometries DLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A----266.66446596; eV
thumbnail.jpeg/Gas_Geometries G7Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A----162.15483202; eV
thumbnail.jpeg/Gas_Geometries G2Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A----153.68094671; eV
thumbnail.jpeg/Gas_Geometries G3Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A----160.79311031; eV
thumbnail.jpeg/Gas_Geometries G4Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexGeometry optimization----153.74103648; eV
thumbnail.jpeg/Gas_Geometries 2_methoyxphenolLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A----105.64672849; eV
thumbnail.jpeg/Solvation/h2o DLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A----267.70406218; eV
thumbnail.jpeg/Solvation/h2o G7Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A----162.75013396; eV
thumbnail.jpeg/Solvation/h2o CLi, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A----267.66353511; eV
thumbnail.jpeg/Solvation/h2o G6Li, Qiangvasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complexN/A----162.53974271; eV
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