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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohrush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1766.09390983; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-2424.33844573; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohwco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-709.819533414; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1515.01603901; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-cnircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-996.9636533; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-clircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1364.3456853; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-cltame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-676.9165006; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ch3-rush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1730.1550062; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sih3-yh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-711.365888504; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ch3-mosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1304.561029; Eh
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