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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/water//water complexes aq-h2cro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-313.8605648; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-h2auph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-479.9672169; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-h2fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1045.394891; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-h2conh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-429.4795256; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-h2cunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-367.9742575; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-h2alcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-1624.412356; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2448.6542912; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1539.0627999; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fwco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-733.9423861; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-366.9790778; Eh
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