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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/water//water complexes aq-corush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1803.5412614; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-cocro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-426.0307818; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-comno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-443.0140239; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-coircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1017.3087865; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-coptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-732.1533118; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-coauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-592.1412626; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-copdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-928.0523335; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-cofecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1618.2091347; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-coznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-380.2405093; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-578.838053; Eh
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