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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh3crh2o5tripleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-525.240248159; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh3zrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-449.030688414; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ncszrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-883.756963697; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh3gacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1439.42052320; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh3ptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-519.149848920; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchzncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1684.68815514; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhccucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-516.471271847; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchznnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-360.224831101; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nchcrh2o5tripleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-562.115624103; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nchnipf33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2187.43892138; Eh
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