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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2opdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-547.531547296; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2onbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-357.163829231; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ooso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-391.879584171; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2oso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-316.513709054; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2pdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-472.280602346; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2opdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-891.074255523; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2oircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-980.315699150; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-905.043644458; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ftame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-316.590199295; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2oalcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*-1699.69594244; Eh
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