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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-h2optf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-695.1473489; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-904.6908023; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1044.9645315; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hpdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-815.4245027; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-h2oznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-343.2372531; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hcro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-313.3905144; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-halcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-1623.9312393; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xehgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYPsdd-192.007425646; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-h2ofeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-653.7236385; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-h2otame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-292.8354878; Eh
Results 15711-15720 of 104515 (Search time: 0.023 seconds).