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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-cokBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-141.5938809; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-514.6876528; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-clptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1079.2260057; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-cnoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-408.9327254; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-coalcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-1736.5740915; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-clconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-888.7511053; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-cnrhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-585.2880328; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-clmosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1724.9218113; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes imidazoltame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-442.704642242; Eh
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