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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3mno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2051.63296387; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3kBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+g*; sdd-1750.15031945; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-826.9881575; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-xezrome3_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-408.0499612; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3ircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2625.89914080; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-smeincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1360.5406732; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sZrCl5_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2747.1006129; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-tiofenohgi2_newfix2freqBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-729.5312144; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-tiofenoincl2_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1475.2207059; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-xezncl3_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1623.6225105; Eh
Results 11-20 of 3480 (Search time: 0.001 seconds).