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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/water//water complexes aq-h2oznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-343.3743469; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-h2tame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-217.6727033; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-h2ZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2349.7747921; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-h2oso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-316.955928; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-h2optf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-695.2517305; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-h2rush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1691.3628783; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-h2feco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-578.4848541; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-h2ofecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1581.3295279; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-h2ocunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-443.2566553; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-h2fecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1506.0640119; Eh
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