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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-pcl3rush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-3412.1715166; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-pcl3tame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1938.3712126; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-pcl3ticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-3160.8285005; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-pcl3wco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2355.9082076; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-pcl3znch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1988.7852126; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-pcl3ZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-4070.5017316; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-pf3zncl3_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2248.9943616; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ph3alcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-1966.3941261; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ph3aucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1859.5675855; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ph3auph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-821.8955353; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ph3conh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-770.8245296; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ph3cro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-655.8534157; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ph3cunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-709.6526318; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ph3fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1387.2653324; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ph3fecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1847.9441304; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ph3feco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-920.4622834; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ph3hgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-519.6064457; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ph3incl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1265.2606954; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ph3ircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1247.0395606; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ph3kBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-371.3064494; Eh