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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes pme3rush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2151.33536118; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sih3-conh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-719.516778513; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sime3cro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-722.098836071; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sih3-wco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-925.303893568; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pme3mno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-790.837036825; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sih3-pdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-762.452513586; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes scunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-765.273155397; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pme3znch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-727.969796887; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes scro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-710.934455547; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pme3ptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1079.88687173; Eh
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