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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nhcptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-844.9723602; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ofecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1119.7322799; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-onbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-356.2340973; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-omosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1340.0257238; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nh3pdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-527.6797459; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ohwco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-709.8070814; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ohkBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-104.1598856; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-oircoph32_nhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-979.3185532; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilno2pdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1251.01413091; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ohfeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-653.1983271; Eh
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