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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ioso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-327.4623128; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ncsconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-919.2358413; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nchmno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-423.0538946; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nchticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1532.2970893; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpinconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-682.265738308; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nchpdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-564.5427597; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ialcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1634.8257441; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ipdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-482.6490588; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpincro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-566.815592279; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-iconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-439.6343287; Eh
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