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Showing results 24817 to 24836 of 25648 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Nov-2018/water/complexes aq-orhh2o5_new2_fix2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-567.7906779; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-orush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1765.6587185; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-otame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-292.1086921; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-oticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1514.6131218; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-owco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-709.3393866; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-oznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-342.4121672; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-oZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2424.1399904; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-oZrCl5_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2424.1324401; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-pcl3alcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-3345.2490157; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-pcl3aucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-3238.4318928; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-pcl3auph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2200.8177158; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-pcl3conh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2150.3150527; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-pcl3cro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2034.7129886; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-pcl3cunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-2088.8045996; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-pcl3fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-2766.2318352; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-pcl3fecl3-baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-3226.8921943; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-pcl3fecl3-bai_new2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-3226.8904387; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-pcl3feco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2299.3306385; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-pcl3hgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1898.5211475; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-pcl3incl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2644.1898551; Eh