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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2optph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-538.992188921; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2znnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-284.127930258; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hzncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1608.50647509; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2aucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-229.805830434; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hcuch3_2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-237.891257244; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ocrh2o5tripleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-545.090252613; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2oniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-590.518168467; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ozncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1684.44592416; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchagnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-449.994857733; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilzrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-624.308388119; Eh
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