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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes omeznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-382.207119283; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3mno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-739.2871377; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes omewco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-749.128024273; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3kBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-437.6092217; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3ircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1313.4027292; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ometicl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1554.33053131; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3incl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1331.7038139; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ometame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-331.856190445; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3hgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-585.9516505; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes omerush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1805.40421599; Eh
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