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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2szrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-791.825674659; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes piridinazncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1856.32103581; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes scnfecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1995.84762263; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes piridinaaucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1764.74076816; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes scnagnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-864.322864508; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes piridinacucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-538.554859271; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes heagnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-375.926078502; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2sfecl3-baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1904.19928262; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohzrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-468.531877942; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ph3znnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-626.220717428; Eh
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