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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes scnincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1413.44214373; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ph3niph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-857.252467640; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ozncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1682.87053915; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ogacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1458.06650696; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes piridinayh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-667.999481115; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ph3agnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-716.216323568; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes piridinaincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1170.47086649; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2szncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2007.40495996; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2sznnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-682.441283931; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohhgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-252.376557661; Eh
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