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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3wco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1043.3437084; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3auph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2200.73484977; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3oso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-725.4814696; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3ptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1028.3094854; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3rhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-901.7614031; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3pdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1224.1410967; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3pdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-880.5007698; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3rhh2o5_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-901.7558704; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3alcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-3345.24193619; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3nbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-690.203962; Eh
Results 21-30 of 3480 (Search time: 0.001 seconds).