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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes hcucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-290.883524957; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2nipf33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2095.16802369; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpinincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1176.41191247; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpinhgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-430.573891591; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2cuch3_2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-238.434963919; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2oaucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1592.83340716; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ocucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-366.657963855; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fznnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-383.333599539; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilyh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-651.754292758; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilgacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1614.59966695; Eh
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