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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fenilauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-710.6235642; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-ffecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1144.3197397; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-copdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-584.4644568; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2auph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-534.904581328; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fmno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-429.8055771; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2alcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-1679.32863609; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fenilZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2580.3764252; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fenilfecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1736.6578315; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-528.3934248; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes imidazolznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-493.096056584; Eh
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