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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/water//water complexes aq-bpinrush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1944.3659113; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hetame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-219.264385720; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-brcro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-326.3247543; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-broso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-329.5241646; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes heticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1441.69923747; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-bpinalcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-1877.4308632; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-brconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-441.9381015; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-bpincro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-566.9143371; Eh
thumbnail.jpeg9-Nov-2018/water/metal_frag aq-mosh3b3lypBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1264.4814835; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-bpinmno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-583.992376; Eh
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