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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes nchauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-572.170182931; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nchnbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-374.167266539; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes iticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1450.60481644; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2otame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-292.852093503; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-904.700069535; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-428.809848825; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2rush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1691.34900609; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hrush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1690.85759160; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ipdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-826.330628526; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hpdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-815.430714936; Eh
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