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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Nov-2018/water/complexes aq-xerush4_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1705.722661; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-xegacl3_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1398.3564139; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-xehgi2_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPsdd-192.0369824; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-xealcl3_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1638.7770443; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-smehgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-614.7846539; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-smeaucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1954.7421914; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1320.791849; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3ZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2757.9865113; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3cro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2034.69737182; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3znch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-676.3543454; Eh
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