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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes pf3tame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-857.368236423; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pme3nbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-741.860200448; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes scnZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2839.56814877; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pme3auph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-939.901984828; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pme3ticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1900.02516327; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes scnznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-758.124483262; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes scnwco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1125.08040469; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pme3kBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-489.285143160; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pf3feco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1218.31767324; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh3ZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2405.10899773; Eh
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